data_2daw_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 2daw _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 ' 11' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' VAL . 5.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.1 t -37.0 -41.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' VAL . 18.2 mtpt -36.01 -60.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -53.71 -59.21 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -40.6 -62.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.7 mt -49.51 -42.13 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -47.91 75.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 18' ' ' LEU . 10.0 mp -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -82.36 -19.59 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.6 mt -93.03 -37.59 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' CD1' ' HE3' ' A' ' 25' ' ' MET . 1.0 OUTLIER -65.55 -41.13 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.08 -24.85 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.4 mmm -62.33 -44.24 96.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.44 -32.29 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.428 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 4.6 mtm -74.98 -43.25 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.84 -44.06 97.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.24 -36.14 74.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -67.89 -46.07 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mtm -68.68 -10.92 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD1' ' OE1' ' A' ' 35' ' ' GLU . 57.6 m-85 -126.74 89.14 52.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -31.59 20.28 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -68.79 136.81 53.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.61 -28.99 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.96 40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 9.8 mm-40 -112.2 -74.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.4 t -83.39 112.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -103.05 102.53 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.44 120.62 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.35 -33.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -158.47 123.62 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 m -63.54 -16.28 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -91.4 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.84 -35.55 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -63.8 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -38.77 -36.88 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' TYR . 47.0 mt -68.83 -59.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -42.17 -28.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -75.26 -39.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -62.13 -32.07 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.13 -32.53 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -72.05 -30.0 64.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.617 0.722 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.415 ' N ' HD12 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.76 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.98 20.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -56.36 170.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.2 mt -94.99 93.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -113.09 132.26 55.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CZ ' HG12 ' A' ' 81' ' ' VAL . 3.1 p90 -156.85 175.51 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.97 125.07 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.0 mt -107.0 129.46 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.8 m -88.83 127.14 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.02 102.1 14.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' NE2' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -78.6 73.52 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.0 mm -59.44 121.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.49 -37.94 80.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.3 tt0 -164.2 124.74 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.2 Cg_endo -69.82 134.6 30.25 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.288 0.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -52.57 90.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' PRO . 32.1 m -139.91 173.81 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -124.46 130.16 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.85 106.65 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.41 118.09 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.3 tp -109.82 111.45 22.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -90.04 102.8 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.45 HG12 ' CZ ' ' A' ' 64' ' ' PHE . 2.1 p -96.83 136.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.1 m -136.15 108.56 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.29 101.83 33.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.485 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -76.24 3.78 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 53.9 m -102.34 -62.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -36.64 150.01 0.14 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.79 -24.33 8.64 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.334 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.0 m-85 -34.52 -44.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 4.0 tt -100.62 154.35 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.83 100.96 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 87' ' ' TYR . 3.4 pp -54.63 175.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.425 ' N ' HD13 ' A' ' 92' ' ' LEU . 5.9 tp60 -121.74 125.33 46.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mt -122.66 154.91 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -139.33 111.34 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.07 111.75 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -144.17 144.47 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.17 148.42 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 p -48.7 -45.02 38.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.78 -61.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.6 mt -39.65 155.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -113.37 177.6 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -59.12 -58.01 10.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -56.75 -47.25 80.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -54.92 -61.1 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 107' ' ' LEU . 26.0 mt-30 -39.64 -61.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' GLN . 14.2 mt -38.15 -55.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.85 -50.94 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.617 ' CD1' ' CD2' ' A' ' 141' ' ' TYR . 4.8 tp -58.4 -65.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -44.44 -55.86 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -49.87 -56.88 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.75 -33.25 42.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 114' ' ' THR . 6.1 tp -76.1 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.0 p -35.1 -49.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 73.9 m -61.26 -46.72 89.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 113' ' ' LEU . 62.3 t80 -55.12 -43.68 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.3 mm -75.5 -23.6 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 10.83 58.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.4 p -115.23 17.6 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -101.41 158.61 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.93 144.92 37.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 94.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.28 -33.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 4.3 pt-20 -105.76 169.87 8.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.5 mt -76.75 155.34 33.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.3 m -125.6 -35.56 2.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.45 -28.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 15.1 m -69.17 -23.97 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -93.28 -29.35 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.79 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.95 -59.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.91 -45.56 92.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -49.43 -56.45 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.5 mt -53.44 -56.87 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -46.31 -62.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -41.08 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.26 50.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.9 t -105.95 -43.55 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.34 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -43.64 -37.4 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.617 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 91.0 m-85 -77.68 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 15.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.4 t -35.56 -41.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' VAL . 31.7 mtmt -36.3 -52.05 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -59.37 -49.86 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.2 m -54.18 -51.78 63.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -58.89 -35.05 72.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -47.46 85.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.86 -25.27 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -81.21 -14.63 57.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.1 -55.46 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 1.1 pp -53.53 -30.81 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -67.9 -29.78 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.8 mmm -64.5 -48.26 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -63.82 -23.33 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 34.9 mtm -88.28 -35.43 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.64 -45.39 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.88 -44.6 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 t -63.25 -46.0 88.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.6 mtm -60.42 -20.0 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 74.2 m-85 -117.51 89.77 33.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.8 37.14 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.43 -20.29 53.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 42.66 52.52 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -48.36 -45.53 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.57 91.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -85.7 110.41 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.7 mt -99.43 108.73 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' LEU . 16.7 pt-20 -36.57 -46.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.75 129.87 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.12 -16.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 35.3 m-80 -88.31 1.92 53.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.48 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.75 -43.62 36.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -61.45 -48.16 82.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 36.2 m-20 -51.33 -48.68 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -48.85 -57.15 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -44.73 -40.53 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.44 -37.32 77.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -59.68 -48.7 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.41 -34.15 10.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -30.25 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 155.68 65.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.612 2.208 . . . . 0.0 112.369 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -52.26 156.97 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.6 mt -82.99 102.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.433 ' CG ' HG23 ' A' ' 82' ' ' THR . 5.4 mt-10 -120.91 133.75 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.519 ' CZ ' HG12 ' A' ' 81' ' ' VAL . 13.1 p90 -162.07 -179.69 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.4 t -131.31 128.46 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.562 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 8.7 mt -106.55 125.02 62.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.421 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 67.0 m -83.96 106.37 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.06 93.62 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.61 80.78 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.441 HD11 ' N ' ' A' ' 70' ' ' ILE . 4.8 mm -61.67 116.37 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PRO . 33.3 mm-40 -63.94 -64.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -122.22 110.53 32.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.74 -175.9 11.7 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.368 -0.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -102.17 94.25 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG23 ' CE2' ' A' ' 142' ' ' PHE . 13.7 m -144.04 -177.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HG3' ' CG2' ' A' ' 67' ' ' THR . 15.0 ttpp -127.41 139.42 52.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.79 108.98 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 0.2 OUTLIER -74.08 112.02 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 94' ' ' LEU . 13.3 tp -101.91 120.92 41.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -95.38 111.42 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.519 HG12 ' CZ ' ' A' ' 64' ' ' PHE . 1.5 p -103.13 145.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.433 HG23 ' CG ' ' A' ' 63' ' ' GLU . 36.9 m -139.81 108.32 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.23 98.96 29.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.578 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -77.05 -8.73 57.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 41.9 m -89.36 -63.18 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.78 148.57 0.15 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.758 . . . . 0.0 110.924 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.81 -24.35 8.63 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.326 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.8 m-85 -34.3 -43.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.5 tt -102.04 154.64 18.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.58 107.03 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 93' ' ' GLN . 4.2 pp -61.32 178.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.461 ' N ' HD11 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -123.29 138.27 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 79' ' ' LEU . 7.0 mt -137.82 144.95 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -144.35 122.71 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.24 128.88 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -137.77 142.18 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.3 t -140.61 123.7 16.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.6 t -43.66 -41.24 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.58 -45.84 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.562 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 24.0 mt -56.48 179.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.4 -179.13 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -68.25 -51.43 45.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -57.01 -50.72 71.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 26.0 mt-30 -62.4 -53.79 49.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -43.26 -55.18 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mt -47.47 -64.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.5 mt -45.2 -47.0 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.09 -69.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -47.29 -58.83 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -41.32 -54.3 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.69 75.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.22 -55.92 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -38.42 -57.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 m -57.99 -49.24 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 60.3 t80 -53.57 -35.62 60.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.6 mm -83.61 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.66 -9.07 86.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -78.58 -40.85 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -45.22 158.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 158.75 31.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.52 -32.5 2.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 10.1 pt-20 -103.61 168.54 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.63 152.89 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.74 -37.48 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.09 -44.39 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.1 t -54.39 -28.94 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.34 10.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.85 -39.72 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.45 -49.99 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 75.6 t90 -48.41 -51.61 25.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -55.09 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.65 -49.69 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.74 -27.43 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -111.6 50.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.7 t -117.03 -52.78 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -54.46 -53.19 57.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 139' ' ' ALA . 49.0 m -35.67 -49.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.489 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 67.1 m-85 -77.23 -48.2 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.562 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 15.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' VAL . 34.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 16' ' ' LEU . 46.7 t -37.27 -44.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -38.19 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -54.24 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -52.91 -66.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 47' ' ' ILE . 13.3 mt -43.02 -49.27 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.07 -45.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -69.78 -42.89 73.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 3.5 mp0 -52.75 -17.9 1.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 mt -91.5 -57.78 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 23' ' ' MET . 3.8 pt-20 -66.23 -30.13 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.18 -33.62 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.454 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 6.4 mtt -71.56 -38.54 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.46 -45.17 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.09 -49.42 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -50.95 -38.36 50.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 mtm -72.64 -34.31 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -116.22 75.61 6.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.31 33.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.52 110.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -60.36 105.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -17.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.75 -57.74 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.487 HG13 ' CD2' ' A' ' 64' ' ' PHE . 52.3 t -93.6 118.41 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 112.43 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.19 108.32 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -45.29 -23.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -167.61 114.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.53 -13.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 57.9 m-80 -74.03 -12.82 60.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -29.24 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.3 mt -86.33 -39.58 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASN . 94.5 m -64.9 -60.93 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 77.0 m-20 -36.43 -38.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 16' ' ' LEU . 54.8 mt -64.1 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ILE . 52.8 mttt -37.33 -33.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -71.06 -49.32 45.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 1.5 t80 -65.95 -46.5 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -41.62 -32.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.77 -30.23 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 166.22 28.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.85 32.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HE3' ' CG2' ' A' ' 82' ' ' THR . 12.9 pttm -93.75 -176.99 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.53 93.33 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.07 124.54 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CZ ' HG13 ' A' ' 81' ' ' VAL . 23.3 p90 -152.89 178.97 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.05 131.05 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.1 mt -106.84 129.98 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -86.76 116.68 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.23 98.47 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.02 74.9 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . 42.1 mm -45.58 104.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ILE . 12.5 mt-10 -37.05 -56.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.6 tt0 -149.74 125.76 5.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.72 157.53 91.84 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.361 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -72.95 97.05 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.04 174.54 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -120.47 133.53 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.6 mt -133.94 115.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.06 113.26 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -99.41 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -84.39 103.2 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -98.73 141.7 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.438 ' CG2' ' HE3' ' A' ' 61' ' ' LYS . 10.2 m -141.15 108.25 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.15 103.69 39.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.28 46.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.538 ' CE1' HD13 ' A' ' 58' ' ' LEU . 3.0 m170 -49.42 -18.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' TYR . 50.1 m -83.02 -56.31 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -36.46 148.57 0.17 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.77 8.4 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.382 -0.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 33.8 m-85 -33.33 -42.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 91' ' ' ALA . 8.1 tt -99.92 156.97 16.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.555 ' N ' ' CD2' ' A' ' 90' ' ' LEU . . . -77.61 105.34 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.5 pp -56.35 -179.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.463 ' N ' HD12 ' A' ' 92' ' ' LEU . 39.6 tt0 -126.29 115.3 19.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mt -113.21 148.28 35.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -151.29 108.88 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.48 132.03 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.535 ' CB ' ' NE2' ' A' ' 106' ' ' GLN . 6.7 ptm180 -145.83 138.08 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.7 p -139.27 146.17 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -49.17 -42.39 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.83 145.34 55.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.69 172.45 6.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.75 -63.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -51.05 -58.33 6.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 25.5 mm100 -46.24 -53.84 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.535 ' NE2' ' CB ' ' A' ' 97' ' ' ARG . 32.3 mt-30 -47.34 -56.94 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -38.6 -46.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.05 -47.42 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.28 -58.01 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -47.13 -67.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -48.27 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.55 -39.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.462 HD12 ' CE3' ' A' ' 133' ' ' TRP . 28.5 tp -73.9 -64.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.2 p -42.63 -41.48 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 t -70.7 -40.55 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 37.5 t80 -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.54 -33.73 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -52.14 -19.82 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -71.38 -41.06 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.4 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -100.68 155.72 36.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.0 Cg_endo -69.73 104.1 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.03 -39.35 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -101.13 153.21 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.51 154.96 27.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.1 m -127.55 -36.02 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -57.13 -27.17 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 13.6 p -64.94 -32.21 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.45 -45.82 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.89 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.5 mt -54.21 -69.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -49.47 -56.13 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.462 ' CE3' HD12 ' A' ' 113' ' ' LEU . 82.1 t90 -43.43 -46.58 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 135' ' ' GLN . 4.2 mt -60.0 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 134' ' ' LEU . 71.4 mt-30 -34.63 -55.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.14 -40.59 86.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 134' ' ' LEU . 66.0 m-80 -93.44 48.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.2 t -123.33 -54.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.57 80.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 m -59.02 -26.28 64.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 18.7 m-85 -84.56 -42.84 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.96 0.409 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 16' ' ' LEU . 25.5 t -36.86 -36.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -44.04 -53.7 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' GLN . 16.6 mt-10 -52.93 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' GLU . 56.2 p -36.61 -55.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.457 HD11 ' CG1' ' A' ' 12' ' ' VAL . 24.0 mt -64.76 -34.22 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -53.41 -43.27 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.0 mt -74.83 -12.9 60.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -83.99 -26.33 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD11 ' CD ' ' A' ' 48' ' ' LYS . 31.5 mt -84.46 -31.91 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 22' ' ' GLU . 1.7 pp -77.12 -41.88 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.464 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -53.61 -38.56 64.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.42 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 89.6 mmm -48.37 -43.95 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.53 -47.65 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.447 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 8.0 mtt -59.54 -47.19 86.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 7.1 mt -59.71 -46.27 89.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 23' ' ' MET . 27.9 m-85 -61.95 -33.53 74.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -68.27 -43.91 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtm -65.13 -9.79 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 39.1 m-85 -122.1 94.71 47.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -43.51 2.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.288 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.01 124.06 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 20.8 mp0 -76.11 75.89 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 52.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 21.4 mt-10 -117.67 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 t -68.68 119.76 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -104.47 101.8 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -91.79 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.14 -31.47 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -140.9 115.98 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.88 -15.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -102.42 7.92 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.8 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.46 -48.57 60.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.459 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 11.4 m -59.63 -43.36 93.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -46.05 -26.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 16' ' ' LEU . 15.5 mt -84.79 -29.3 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' CD ' HD11 ' A' ' 20' ' ' LEU . 9.2 mmmm -57.33 -39.69 76.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 18.0 mtp85 -68.65 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.65 -45.63 68.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.14 -37.04 61.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' ARG . 11.9 pt-20 -81.3 -24.79 36.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.25 54.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.54 5.74 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -43.24 156.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.5 mt -77.68 95.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.5 ' OE2' ' CG2' ' A' ' 82' ' ' THR . 3.0 tp10 -118.09 129.32 55.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CZ ' HG12 ' A' ' 81' ' ' VAL . 5.2 p90 -160.1 173.61 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -122.38 127.67 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 53.3 mt -106.52 124.9 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -83.98 114.29 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -81.48 96.95 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.509 ' NE2' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -75.66 69.81 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.5 mm -47.36 136.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 12.5 pt-20 -74.87 -50.65 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 13.7 tt0 -151.43 122.44 3.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.3 Cg_endo -69.77 144.07 75.64 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.322 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.1 82.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.54 171.2 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -116.15 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.4 mt -140.3 117.65 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.95 118.04 21.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 tp -112.14 105.74 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -80.75 111.84 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG12 ' CZ ' ' A' ' 64' ' ' PHE . 2.5 p -103.44 121.03 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.5 ' CG2' ' OE2' ' A' ' 63' ' ' GLU . 2.7 m -119.25 114.19 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 110.47 49.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -169.16 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.597 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -84.09 7.12 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' TYR . 13.3 m -106.89 -58.3 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.82 149.92 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.75 -8.29 10.41 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.318 -0.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.3 m-30 -34.33 -50.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 1.3 pp -104.85 -175.36 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.424 ' N ' HD11 ' A' ' 90' ' ' LEU . . . -95.58 102.68 14.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.493 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.6 pp -50.12 171.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.16 116.01 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 92' ' ' LEU . 6.3 mt -114.83 153.9 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -149.32 109.47 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.52 116.4 4.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -144.39 147.25 33.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 p -139.31 140.99 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 t -47.15 -38.72 12.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.81 -56.54 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.02 140.9 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -87.61 164.05 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -48.46 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -48.62 -39.08 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -65.25 -49.46 69.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.6 -49.83 45.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.23 -34.83 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.25 -43.19 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.449 HD12 ' CE1' ' A' ' 141' ' ' TYR . 5.5 tp -67.81 -59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -49.27 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -39.6 -47.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.05 96.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 114' ' ' THR . 7.3 tp -69.68 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LEU . 32.2 p -35.26 -55.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -63.77 -45.72 88.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.431 ' CZ ' ' CD1' ' A' ' 133' ' ' TRP . 56.9 t80 -51.15 -35.98 38.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.4 mm -81.68 -32.36 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.4 -14.3 56.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 71.8 p -81.82 -37.57 26.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 129' ' ' ALA . 13.1 m-85 -46.52 147.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.38 154.93 46.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.59 57.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.58 -37.85 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 11.0 pt-20 -100.62 170.79 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.93 155.99 27.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 m -126.2 -48.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.3 p -44.63 -41.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 30.6 p -55.69 -37.46 68.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 120' ' ' PHE . . . -77.22 -49.79 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -37.96 -44.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.41 HG22 ' CD1' ' A' ' 68' ' ' LEU . 59.8 mt -57.73 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -41.76 -52.9 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.431 ' CD1' ' CZ ' ' A' ' 116' ' ' TYR . 76.5 t90 -50.22 -49.21 53.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 137' ' ' ASN . 4.3 mt -56.47 -61.63 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 134' ' ' LEU . 27.3 mt-30 -35.11 -56.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -69.03 -36.01 77.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' LEU . 71.4 m-80 -102.82 53.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -133.54 -54.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 139' ' ' ALA . 3.7 m -36.99 -47.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' A' ' 109' ' ' LEU . 38.1 m-85 -68.56 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' LYS . 98.1 t -38.24 -39.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' VAL . 42.0 mttp -34.75 -65.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' SER . 61.1 mm-40 -53.24 -54.2 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 p -36.13 -56.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -75.71 -34.2 60.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -53.34 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.09 -14.93 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 15' ' ' SER . 34.2 mt-30 -86.49 -17.87 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.13 -37.08 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.504 ' CD1' ' CE ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -75.39 -37.52 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' OE1' ' CE ' ' A' ' 83' ' ' MET . 2.0 pp20? -64.86 -18.63 65.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mmm -73.88 -41.77 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.44 -48.79 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.504 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 8.1 ptp -55.92 -29.96 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.74 -49.92 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.2 m-85 -50.84 -43.46 59.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m -54.59 -42.59 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtm -60.66 -47.92 84.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' PHE . 32.7 m-85 -101.79 112.85 65.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.61 6.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -81.75 102.87 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -37.46 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -39.32 -48.03 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.85 -65.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -78.97 100.72 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -96.15 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mt -99.02 124.06 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.56 -34.7 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.02 128.33 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.21 -16.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -85.57 6.87 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.89 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.94 -40.83 75.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -63.21 -60.73 3.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -41.88 -36.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 93.4 mt -65.31 -51.22 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -53.65 -23.83 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -76.79 -43.89 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 4.0 t80 -61.12 -29.24 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.9 -53.32 58.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.02 -15.48 59.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.526 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.575 0.703 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.471 ' N ' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.72 161.94 43.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 138.37 37.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -71.34 158.59 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 89.1 mt -82.96 85.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.33 124.08 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CZ ' HG11 ' A' ' 81' ' ' VAL . 19.3 p90 -151.61 -178.44 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.1 t -131.5 130.6 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.6 mt -107.79 125.62 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.0 m -86.79 97.38 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.3 mt -78.65 139.66 38.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.56 118.72 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLU . 33.4 mm -87.09 106.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' ILE . 13.2 pt-20 -33.89 -46.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.1 tt0 -160.05 122.79 1.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.669 0.747 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.8 148.84 87.64 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.386 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.29 83.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -126.22 167.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.35 137.07 46.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.2 mt -131.46 112.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -77.34 102.57 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.3 tp -90.18 97.54 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -75.48 103.25 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -97.95 143.97 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 m -140.05 104.99 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 2.1 mtt -101.26 103.24 25.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.827 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.526 ' CE1' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -85.05 11.56 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 17.5 m -111.08 -60.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.66 149.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.926 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.74 -22.77 9.42 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.299 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.424 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 45.0 m-85 -35.74 -47.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 4.7 tt -97.59 150.46 21.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.93 95.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 pp -51.95 175.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -118.48 143.94 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.42 HD21 ' CG2' ' A' ' 81' ' ' VAL . 7.3 mt -137.48 155.68 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.69 110.74 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.39 114.05 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' ' NE2' ' A' ' 106' ' ' GLN . 3.2 mmm180 -121.81 134.41 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 p -140.93 165.92 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -71.83 -35.89 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -66.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.1 mt -40.91 147.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.02 -176.38 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -56.19 -59.0 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' GLN . 11.5 t-80 -55.88 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' HIS . 31.0 mt-30 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' NE2' ' HD3' ' A' ' 97' ' ' ARG . 17.5 mt-30 -49.55 -61.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -38.91 -45.44 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.64 -46.74 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.12 -64.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -45.01 -62.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -41.2 -54.24 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.58 -45.91 92.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' THR . 8.7 tp -65.18 -64.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.96 0.409 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . 21.0 p -37.37 -57.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.0 t -59.93 -45.88 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 31.6 t80 -50.66 -34.22 25.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.3 mm -82.64 -25.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.47 -17.13 61.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 78.6 p -78.14 -46.18 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.3 142.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.59 154.85 73.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.424 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.2 Cg_endo -69.76 153.26 69.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.34 -40.95 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 13.0 pt-20 -92.66 163.39 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.43 153.4 37.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 70.9 m -128.37 -40.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.19 -30.32 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 19.0 t -69.45 -29.02 66.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.37 -43.74 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.03 -50.07 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 60.7 mt -44.0 -57.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.13 -59.04 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.4 t90 -39.82 -43.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 135' ' ' GLN . 7.3 mt -65.4 -63.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 134' ' ' LEU . 30.7 mt-30 -35.77 -42.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.57 -44.17 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -92.09 50.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -127.73 -62.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.47 35.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.0 m -56.88 -27.36 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.53 -40.23 17.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.4 t -44.76 -37.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -41.28 -52.2 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -57.03 -64.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.05 -35.29 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -47.68 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 18' ' ' LEU . 9.9 mp -67.0 -34.44 77.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 87' ' ' TYR . 1.8 mp0 -63.78 -18.9 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -87.16 -54.62 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.456 ' CD1' ' CE ' ' A' ' 25' ' ' MET . 1.0 OUTLIER -54.66 -36.51 64.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.444 ' C ' ' HG2' ' A' ' 25' ' ' MET . 9.2 pt-20 -61.94 -18.88 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mmm -77.95 -65.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -45.87 -41.08 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 9.9 ptp -65.22 -38.56 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 25' ' ' MET . 20.2 mt -71.32 -41.35 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -54.58 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.1 m -67.69 -22.55 65.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.6 mtm -77.96 -27.58 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -126.48 72.65 73.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.44 30.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' GLY . 6.6 m-20 -71.91 117.88 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.1 mt-30 35.12 33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 37.06 72.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -39.71 -33.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.542 ' CG1' ' CD2' ' A' ' 64' ' ' PHE . 14.4 t -75.16 108.81 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -100.72 114.03 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.8 109.24 21.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -56.47 -28.3 59.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.59 93.06 3.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -58.94 -16.6 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -98.39 20.42 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.91 -42.51 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.94 -45.11 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -59.63 -57.31 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -43.51 -44.56 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.8 -62.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -43.73 -41.51 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.25 -38.49 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -68.92 -32.55 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.7 -38.49 85.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.22 -3.73 57.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.554 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 155.97 64.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.49 21.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -49.84 177.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.3 mt -102.14 94.41 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.185 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -115.01 133.37 56.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE2' HG13 ' A' ' 81' ' ' VAL . 30.4 p90 -160.67 -179.48 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.9 t -125.82 129.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.55 128.0 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -86.79 107.25 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -79.24 109.54 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -84.56 78.61 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.87 105.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.36 -41.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -163.92 131.99 2.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.79 128.6 12.87 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.322 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 ttmt -46.9 103.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.2 m -150.1 173.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -118.36 119.86 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.9 mt -119.17 118.9 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.53 109.01 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 tp -95.02 121.63 36.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -93.02 97.96 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.546 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.8 p -95.75 136.13 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -138.38 110.32 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.69 110.5 49.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.554 ' CE1' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -80.13 -4.16 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' TYR . 2.6 m -95.66 -61.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.87 149.91 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.68 -3.11 7.39 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.349 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.7 m-30 -38.4 -50.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 1.9 pp -104.82 -175.02 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' HD13 ' A' ' 90' ' ' LEU . . . -92.15 106.93 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 87' ' ' TYR . 4.5 pp -58.22 167.89 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -110.63 128.11 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -123.54 151.68 42.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -138.67 112.38 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.88 110.98 3.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.74 139.17 43.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 t -139.91 131.42 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 p -49.92 -28.27 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -81.64 -39.09 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.87 171.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -122.0 176.11 5.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.37 -50.0 71.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -61.06 -47.88 84.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.53 -54.66 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -46.69 -56.0 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.14 -40.23 6.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.2 mt -72.57 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.49 -57.9 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.502 ' ND2' ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER -52.19 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -45.47 -62.18 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.67 -33.48 9.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.535 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 116' ' ' TYR . 7.4 tp -79.25 -67.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.8 p -38.11 -52.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 -39.2 93.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 t80 -61.51 -43.0 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.8 mm -75.35 -6.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.72 1.06 88.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 p -100.02 2.17 43.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.331 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.18 160.02 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.47 156.55 39.33 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.82 15.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.48 -35.69 2.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.1 pt-20 -108.26 162.25 14.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -74.15 154.79 38.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.88 -39.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.5 p -51.77 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 23.9 p -56.41 -32.19 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.87 -52.12 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.04 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.5 mt -52.24 -57.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.49 -60.3 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.502 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 71.5 t90 -38.55 -53.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 137' ' ' ASN . 5.7 mt -52.74 -58.12 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 134' ' ' LEU . 65.9 mt-30 -37.28 -58.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -71.39 -26.83 62.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' CE2' ' A' ' 133' ' ' TRP . 69.6 m-80 -102.04 50.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -132.94 -62.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -39.79 -39.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.1 t -57.92 -43.6 86.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -75.21 -4.34 38.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -42.45 -28.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -48.36 -47.83 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' GLN . 5.5 mp0 -63.99 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 25.7 p -35.88 -46.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.82 -38.58 53.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 1.5 tp60 -61.71 -58.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -52.87 -32.44 44.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 15' ' ' SER . 38.0 mt-30 -61.45 -22.52 65.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.8 mt -83.69 -47.42 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.76 -32.06 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 125' ' ' LEU . 4.0 pt-20 -78.06 -32.85 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.85 -58.7 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.59 -35.92 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.433 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 19.8 mtm -69.63 -38.68 77.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.83 -45.33 86.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -54.62 -51.39 65.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 t -48.76 -52.31 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.1 mtm -56.34 -38.68 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 56.6 m-85 -109.95 80.9 1.88 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.69 6.11 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -67.12 128.37 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.49 165.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.36 -47.61 3.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE1' ' CA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -40.76 -62.02 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.24 100.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -96.35 109.44 21.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.24 111.94 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -51.52 -29.02 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.28 120.92 18.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.0 m -81.34 -16.53 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.01 8.09 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.1 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -47.16 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.6 m -50.64 -51.55 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ARG . 86.7 m-20 -54.04 -54.42 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.5 mt -40.36 -50.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.48 -36.53 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 46' ' ' ASN . 30.3 mtp180 -70.14 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -91.98 -37.23 12.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.99 -39.37 93.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.573 0.702 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 156.16 63.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 129.03 16.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -57.95 162.14 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.0 mt -89.93 105.6 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.47 127.23 46.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.8 p90 -153.59 178.16 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.26 126.33 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.461 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 63.6 mt -109.09 125.01 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -84.73 124.66 31.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.54 95.44 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.04 77.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.8 124.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.42 -53.14 61.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.441 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 7.7 tt0 -150.97 122.93 3.97 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.5 Cg_endo -69.75 154.58 93.3 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.347 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -75.96 90.92 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.445 HG22 ' CZ ' ' A' ' 142' ' ' PHE . 27.3 m -135.38 176.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -119.2 137.07 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.81 108.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.73 108.57 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 94' ' ' LEU . 25.6 tp -97.19 115.32 27.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.38 100.8 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG12 ' CZ ' ' A' ' 64' ' ' PHE . 2.0 p -93.47 141.47 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -140.86 115.75 9.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.23 98.75 44.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.703 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 177.33 5.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.557 ' CE1' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -63.77 -7.59 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 58.7 m -91.88 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.71 149.92 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.3 Cg_endo -69.7 -25.56 7.91 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.318 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' PRO . 47.1 m-85 -33.85 -44.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 5.1 tt -101.83 148.92 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.96 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.73 177.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -117.02 130.42 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 79' ' ' LEU . 10.0 mt -133.24 133.5 42.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.32 115.62 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.72 112.87 2.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -122.38 137.52 54.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -138.12 127.58 24.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -45.91 -49.97 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -53.51 -47.75 69.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.14 175.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.14 -178.42 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -73.09 -48.07 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.424 ' HA ' ' CD2' ' A' ' 107' ' ' LEU . 35.3 t60 -74.02 -25.05 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.54 -38.11 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -69.03 -54.15 16.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 108' ' ' LEU . 1.3 pp -45.1 -38.38 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 107' ' ' LEU . 33.0 mt -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.55 -63.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -43.12 -61.76 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -52.05 -45.73 64.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.68 72.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.421 HD12 ' CE3' ' A' ' 133' ' ' TRP . 7.5 tp -79.26 -48.99 13.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.4 m -68.4 -37.52 80.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -71.57 -38.31 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.7 mm -75.02 -28.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.36 -15.94 70.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.53 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.0 p -73.52 -46.62 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -42.19 152.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.36 156.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.7 9.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.47 -19.69 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -118.87 173.3 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.415 ' CD1' ' HB3' ' A' ' 22' ' ' GLU . 38.6 mt -80.07 154.73 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 62.0 m -124.32 -46.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 128' ' ' CYS . 12.0 p -46.81 -32.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.414 ' N ' HG11 ' A' ' 127' ' ' VAL . 4.2 t -61.41 -35.43 77.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.85 -51.81 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.16 -42.57 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.43 -70.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.85 -53.49 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.421 ' CE3' HD12 ' A' ' 113' ' ' LEU . 87.4 t90 -40.65 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 137' ' ' ASN . 14.3 mt -40.21 -61.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -38.53 -64.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -59.11 -24.72 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' LEU . 25.2 m-80 -113.48 53.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -124.88 -51.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.62 82.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.0 m -43.65 -34.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -86.25 -52.46 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.445 ' CZ ' HG22 ' A' ' 75' ' ' VAL . 56.3 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' HB ' ' CZ ' ' A' ' 50' ' ' TYR . 14.0 t -47.45 -20.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -50.19 -62.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -64.05 -50.56 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.8 m -47.99 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 12' ' ' VAL . 12.1 mt -55.06 -36.64 65.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -33.74 66.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 HD13 ' CD ' ' A' ' 88' ' ' PRO . 10.8 mt -77.54 -25.29 50.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 84' ' ' PRO . 69.6 mt-30 -76.59 -20.96 56.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.39 -41.42 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -74.75 -38.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' N ' HD11 ' A' ' 21' ' ' LEU . 1.1 pp20? -63.56 -28.54 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.96 -39.85 69.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.99 -53.79 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.459 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 6.1 mtt -47.93 -35.39 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD12 ' CD ' ' A' ' 22' ' ' GLU . 4.9 mt -71.81 -51.09 24.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -53.88 -40.48 66.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.7 -44.97 95.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.7 mtm -64.8 -19.81 66.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -122.13 81.16 44.0 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -40.45 5.32 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.455 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -49.38 135.89 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.57 85.94 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.06 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -111.41 -63.6 1.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.33 127.76 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -118.52 110.11 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.4 mt -94.76 99.58 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -40.31 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -154.39 116.26 4.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 42' ' ' ASN . 27.2 m -69.22 -44.87 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.452 ' N ' HG22 ' A' ' 41' ' ' VAL . 1.7 m-80 -57.32 -12.7 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.0 -45.26 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.94 -45.33 94.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ASN . 86.8 m -58.99 -61.61 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' THR . 18.0 m-80 -37.71 -33.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.53 -49.25 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -46.56 -41.69 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.68 -30.78 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.467 ' CZ ' ' HB ' ' A' ' 12' ' ' VAL . 9.4 t80 -65.56 -29.3 69.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.14 -9.44 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -107.02 -30.08 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.58 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.7 153.21 69.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.93 143.24 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.7 mt -68.24 108.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -128.12 126.86 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -156.33 165.92 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -114.58 126.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 83.6 mt -106.37 125.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 m -85.16 99.47 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 131' ' ' ILE . 4.5 mm? -66.84 93.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -75.39 79.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.42 ' CG1' HD13 ' A' ' 77' ' ' ILE . 44.7 mm -50.51 138.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.35 -43.91 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 9.5 tt0 -162.08 121.36 1.43 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.82 148.18 86.34 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.31 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -73.41 93.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -136.37 172.24 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -107.64 135.74 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.42 HD13 ' CG1' ' A' ' 70' ' ' ILE . 70.1 mt -134.55 99.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -64.32 114.26 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 94' ' ' LEU . 4.6 tp -110.0 96.82 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -73.19 99.02 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.47 ' CB ' HD21 ' A' ' 94' ' ' LEU . 7.9 p -93.63 151.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -142.19 120.48 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 29.9 mtt -110.49 98.5 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.409 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 53.6 Cg_endo -69.82 -178.37 2.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.58 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -76.31 -3.52 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' TYR . 29.6 m -96.58 -62.15 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.31 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.942 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.79 -23.58 9.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 -0.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.444 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 43.6 m-85 -35.28 -46.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 4.8 tt -99.22 154.58 18.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.48 103.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.6 pp -57.2 177.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.461 ' N ' HD12 ' A' ' 92' ' ' LEU . 15.4 tt0 -119.75 125.73 49.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 81' ' ' VAL . 9.9 mt -127.26 137.1 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -140.52 110.97 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' H ' ' ND2' ' A' ' 110' ' ' ASN . . . -107.04 115.83 4.78 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -118.03 140.12 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 m -140.15 130.8 25.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -51.16 -36.71 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.76 -48.44 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.95 127.93 33.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.45 -179.2 6.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -47.51 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 105' ' ' GLN . 20.1 t60 -41.55 -55.05 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 104' ' ' HIS . 1.1 mp0 -36.68 -53.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 108' ' ' LEU . 31.3 mt-30 -65.0 -50.58 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp -39.95 -29.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.9 mt -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.44 -59.43 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 96' ' ' GLY . 24.0 m120 -58.83 -64.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -50.17 -55.17 16.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.89 -26.27 47.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.01 -59.99 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.5 p -38.64 -48.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -67.03 -48.1 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.461 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 43.8 t80 -51.64 -39.15 57.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 30.2 mm -75.41 -20.12 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.07 -15.64 78.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -78.88 -10.01 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.62 154.39 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.15 149.61 38.93 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.567 0.698 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.3 Cg_endo -69.76 112.0 2.96 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 -36.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 12.6 pt-20 -97.4 165.94 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.14 152.88 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.3 m -124.6 -41.79 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 128' ' ' CYS . 5.9 p -51.26 -30.16 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.414 ' N ' HG11 ' A' ' 127' ' ' VAL . 25.1 p -62.89 -29.13 70.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.57 -46.72 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.52 -37.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 68' ' ' LEU . 96.7 mt -61.49 -60.14 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.71 -51.52 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 74.3 t90 -47.01 -46.94 22.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.4 mt -58.64 -65.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -46.51 -45.57 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -54.68 -55.22 32.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' TYR . 1.7 m-80 -106.97 55.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -104.92 -57.6 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.93 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -54.64 -20.93 9.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 137' ' ' ASN . 16.5 m-85 -90.44 -49.9 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 t -59.88 -32.11 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -44.65 -32.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLN . 8.8 mm-40 -78.5 -67.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' GLU . 45.7 p -38.37 -46.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.77 -38.62 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -59.2 -38.2 79.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.75 -28.33 55.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' C ' ' HG2' ' A' ' 22' ' ' GLU . 46.2 mt-30 -68.39 -24.64 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.31 -53.87 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 1.3 pp -54.1 -40.2 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 23' ' ' MET . 7.6 pt-20 -56.71 -34.22 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.436 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 81.5 mmm -52.87 -43.01 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.39 -37.08 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.423 ' HE1' ' CD1' ' A' ' 21' ' ' LEU . 9.6 mtt -70.97 -38.61 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.64 -48.18 56.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -55.66 -48.7 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -54.73 -45.4 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 41.4 mtm -59.88 -37.97 80.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -108.67 80.73 1.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -31.01 21.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -70.21 108.36 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -47.25 140.65 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 -43.64 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -44.97 -63.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.2 116.31 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -118.19 112.0 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.92 94.76 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -43.83 -33.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.91 90.29 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.23 -35.15 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -69.29 -12.19 61.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.84 63.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mt -53.82 -40.45 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ASN . 98.2 m -68.3 -59.61 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' THR . 11.8 m-80 -36.46 -44.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.9 mt -57.26 -65.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -37.65 -41.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -59.14 -45.33 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' ILE . 31.5 t80 -70.19 -15.46 62.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.52 -41.76 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.81 -20.14 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.558 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 166.77 26.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.65 69.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.46 174.73 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.9 mt -96.81 98.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -117.79 131.3 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -156.33 176.34 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.09 128.24 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.9 mt -107.24 126.62 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -88.41 121.11 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.12 101.08 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 77.21 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.6 mm -55.79 122.07 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.11 -44.28 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -167.85 133.47 1.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.75 131.77 20.27 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.37 0.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 8.9 ttmt -52.38 103.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.473 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 22.5 m -143.16 -176.92 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -123.99 137.01 54.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.44 117.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.99 113.38 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.448 HD13 ' CD2' ' A' ' 94' ' ' LEU . 22.3 tp -102.12 101.76 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -79.99 95.11 6.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.2 p -91.64 141.32 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -140.48 107.54 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.533 ' HB3' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -105.7 98.73 18.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 166.17 28.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CE1' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -47.97 -23.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 61.1 m -75.47 -66.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.22 149.33 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.694 0.759 . . . . 0.0 110.944 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -25.06 8.25 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.307 0.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -34.16 -43.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.5 tt -100.63 147.58 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.422 ' C ' HD21 ' A' ' 90' ' ' LEU . . . -67.53 99.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 93' ' ' GLN . 4.0 pp -52.58 177.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.417 ' N ' HD13 ' A' ' 92' ' ' LEU . 32.9 tt0 -123.24 122.36 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 79' ' ' LEU . 3.9 mt -120.83 147.64 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -145.67 124.55 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.64 138.16 14.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -138.2 135.47 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.406 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 32.1 t -140.54 118.67 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -38.14 -42.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.92 -63.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 98' ' ' SER . 95.4 mt -39.92 130.68 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -92.85 160.95 14.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' ASP . 15.9 tpt180 -34.78 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -39.55 -50.26 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.32 -70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -39.55 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -53.97 32.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.74 -29.68 68.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.77 -46.74 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -69.43 -63.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -39.61 -46.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.48 91.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 5.9 tp -62.78 -57.01 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.3 p -40.89 -52.51 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.57 -50.41 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.407 ' CD1' ' CD1' ' A' ' 133' ' ' TRP . 61.0 t80 -51.92 -25.68 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 35.9 mm -87.38 -36.26 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.29 -19.7 53.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 120' ' ' PHE . 36.9 p -67.18 -52.65 38.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 119' ' ' THR . 12.2 m-85 -35.35 142.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.74 156.24 67.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.43 -50.69 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -86.87 162.23 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.2 mt -68.27 151.74 46.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.6 m -125.79 -36.4 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 128' ' ' CYS . 9.0 p -52.31 -36.69 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.418 ' N ' HG12 ' A' ' 127' ' ' VAL . 6.7 t -55.71 -34.2 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.8 -51.25 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.19 -40.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.78 -65.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.76 -56.91 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.538 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t90 -40.13 -62.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -46.19 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -44.34 -59.46 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.15 -44.05 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -117.19 59.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.4 t -107.4 -59.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -54.92 -45.59 74.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.7 t -41.11 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 m-85 -91.12 -49.46 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.473 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 29.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 73.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.2 t -36.35 -41.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' VAL . 45.5 mttt -36.25 -53.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.47 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -42.31 -55.6 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . 41.2 mt -57.44 -42.53 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.11 -59.88 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.26 -38.08 85.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -53.9 -23.04 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.16 -50.93 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.548 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -58.3 -29.61 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -71.53 -20.27 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' LEU . 87.5 mmm -78.02 -66.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -41.98 -33.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 14.5 ptp -76.94 -37.85 54.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 25' ' ' MET . 16.2 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.11 -39.32 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -73.87 -37.92 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.2 mtp -58.27 -39.8 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -106.29 94.86 10.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.49 37.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.41 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -50.62 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -108.06 -54.47 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' OE1' ' A' ' 35' ' ' GLU . . . -98.84 76.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -134.07 -48.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.403 . . . . 0.0 110.907 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 t -113.68 102.95 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -102.36 126.5 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.76 118.93 38.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.55 -29.88 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -167.18 109.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -53.98 -22.25 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 15.4 m-80 -60.37 -23.92 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.01 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.72 -39.03 87.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ILE . 92.5 m -61.7 -67.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 59' ' ' PRO . 14.2 m-20 -36.26 -32.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' THR . 48.8 mt -71.0 -58.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.25 -32.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -71.31 -53.97 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -52.62 -30.37 31.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.31 -42.42 91.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -30.08 25.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 126.55 13.41 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -47.41 162.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.6 mt -88.1 87.3 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.55 129.99 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -159.83 -179.88 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.8 t -121.77 126.31 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.1 mt -106.57 132.7 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 68' ' ' LEU . 30.7 m -90.51 133.11 35.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 131' ' ' ILE . 4.4 mm? -108.58 103.41 12.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.66 95.7 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 73' ' ' PRO . 18.7 mm -71.88 116.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -51.47 -65.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tp10 -133.98 119.25 14.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 177.17 29.74 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.378 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -96.01 99.29 11.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 m -144.98 176.1 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -118.85 127.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.57 113.44 25.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 tp -104.32 103.96 13.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -74.68 120.75 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.89 140.71 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 106.73 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.4 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -106.88 103.21 46.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.78 -166.28 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -81.36 10.8 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 38.1 m -110.34 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.58 150.03 0.11 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.666 0.746 . . . . 0.0 110.908 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -24.65 8.46 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.342 -0.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 29.0 m-85 -34.41 -44.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.1 tt -99.91 148.91 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -68.62 102.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.546 HD21 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -57.23 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -125.97 116.45 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mt -118.53 148.91 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -147.73 121.86 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.24 118.24 5.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -136.74 135.42 38.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 t -137.08 154.45 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -60.46 -47.59 85.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.34 -55.47 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 142' ' ' PHE . 54.0 mt -45.66 137.89 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -95.53 175.15 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -48.3 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -46.89 -53.33 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -49.72 -55.73 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -49.36 -59.87 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.0 mt -47.57 -63.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.4 mt -47.69 -51.19 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.96 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -39.66 -56.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.26 -50.68 58.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.74 -64.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.2 p -37.94 -49.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 t -66.59 -48.92 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.474 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 29.5 t80 -49.18 -28.7 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.4 mm -88.97 -23.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.47 -22.25 69.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -72.07 -20.94 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -67.09 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.98 155.12 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.546 0.689 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.427 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.6 Cg_endo -69.72 119.67 6.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.49 -42.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.546 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.4 pt-20 -99.0 178.15 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.84 153.34 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.0 m -125.47 -42.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.86 -23.9 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.49 -38.6 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.81 -52.06 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -38.85 -37.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 68' ' ' LEU . 80.8 mt -60.74 -69.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -50.58 -42.9 56.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.474 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 89.2 t90 -55.16 -64.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 135' ' ' GLN . 10.5 mt -40.55 -56.2 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.4 mt-30 -34.43 -63.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.39 -45.73 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -83.95 49.41 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 m -131.98 -55.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.99 -38.61 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 t -62.92 -38.08 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -68.28 -54.98 13.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.429 ' CE1' HD23 ' A' ' 101' ' ' LEU . 25.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.959 0.409 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 92.7 t -38.12 -43.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' VAL . 83.8 mttt -34.67 -50.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.9 -68.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -40.09 -64.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 12' ' ' VAL . 77.9 mt -40.56 -43.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -52.86 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.56 -21.47 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.419 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . 73.8 mt-30 -82.35 -18.82 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.21 -27.1 17.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -81.27 -32.96 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' CD ' ' HA ' ' A' ' 19' ' ' GLN . 10.7 pt-20 -75.69 -33.78 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.6 mmm -60.63 -57.67 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.87 -29.93 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.8 mtm -78.16 -24.91 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.5 -46.71 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -51.62 -51.13 58.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -58.06 -36.67 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.3 mtm -67.6 -23.68 65.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -121.74 83.79 42.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -39.34 6.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -41.31 108.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.84 95.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.77 41.67 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -109.14 -56.18 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.4 t -94.45 116.93 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.566 ' CG ' ' HB ' ' A' ' 65' ' ' VAL . 11.1 ptpt -106.48 118.59 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 mt -103.67 125.8 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -62.31 -25.74 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -149.48 113.34 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.68 -19.63 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.1 m-80 -85.52 15.06 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.15 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.38 -45.94 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -58.18 -59.1 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 72.0 m-20 -39.76 -47.46 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' TYR . 67.4 mt -54.2 -63.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -38.02 -31.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 57.2 mtp180 -77.36 -42.61 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' ILE . 40.0 t80 -66.13 -12.46 55.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.6 mt -86.85 -46.44 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.24 -24.91 67.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.15 57.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.81 22.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -53.51 160.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.0 mt -91.06 91.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.93 55.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -152.56 176.43 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.566 ' HB ' ' CG ' ' A' ' 37' ' ' LYS . 55.4 t -116.02 128.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.8 mt -108.32 131.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.6 m -92.42 120.56 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.7 102.44 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -75.51 71.95 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 mm -55.41 115.99 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.48 -57.16 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.0 tt0 -147.28 123.86 5.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.75 148.89 87.63 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.322 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -72.24 97.88 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -140.57 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -127.26 133.53 50.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.7 mt -133.4 125.96 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 115.71 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.3 tp -108.6 95.88 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -75.06 100.62 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.46 ' CG2' HD23 ' A' ' 94' ' ' LEU . 3.0 p -94.87 145.29 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -140.58 113.75 8.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.0 mtt -104.05 98.62 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.35 42.42 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 58' ' ' LEU . 2.2 m170 -50.85 -17.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' TYR . 38.5 m -82.84 -64.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.09 149.11 0.11 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.732 0.777 . . . . 0.0 110.856 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.5 Cg_endo -69.75 -24.56 8.5 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.342 -0.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.454 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.6 m-85 -33.25 -43.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 91' ' ' ALA . 8.7 tt -100.59 154.82 18.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' N ' HD21 ' A' ' 90' ' ' LEU . . . -74.54 92.65 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -46.12 173.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -119.42 121.76 40.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 81' ' ' VAL . 7.9 mt -115.85 136.29 53.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -132.29 102.86 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.86 120.73 6.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.425 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . 7.7 ptt180 -128.16 146.47 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -140.54 136.18 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.9 p -52.4 -45.03 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.23 -54.13 48.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.7 mt -54.93 145.42 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -105.03 176.23 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -47.1 -53.49 12.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.68 -44.23 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 106' ' ' GLN . 12.6 mm100 -65.65 -70.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 97' ' ' ARG . 31.9 mt-30 -35.61 -39.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -56.46 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.85 -45.99 71.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.54 -64.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -48.14 -56.82 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -52.57 -51.57 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.11 -41.25 92.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' TYR . 6.9 tp -69.74 -65.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LEU . 39.3 p -34.85 -48.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 m -64.72 -43.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 13.1 t80 -59.44 -25.48 64.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.2 -35.1 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.55 -7.05 9.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.3 p -92.06 -8.52 45.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -73.64 147.79 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.28 152.1 52.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.45 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.9 Cg_endo -69.77 131.8 21.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.34 -40.37 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.74 165.24 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.46 152.37 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.6 m -127.51 -54.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 128' ' ' CYS . 10.0 p -43.25 -33.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.47 ' N ' HG13 ' A' ' 127' ' ' VAL . 38.6 t -60.67 -40.63 92.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' ALA . . . -75.97 -50.58 14.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' ALA . . . -37.5 -50.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.19 -65.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -54.8 -48.19 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.559 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.8 t90 -48.38 -50.93 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 135' ' ' GLN . 8.2 mt -55.24 -58.63 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 134' ' ' LEU . 32.6 mt-30 -34.81 -49.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.09 -45.27 42.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -90.04 38.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 m -125.62 -43.8 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.66 67.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 p -63.27 -19.19 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -85.94 -53.14 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.937 0.399 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -44.28 -41.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CB ' HD23 ' A' ' 51' ' ' LEU . 12.4 mtmm -41.49 -59.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.98 -49.07 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 63.2 m -45.03 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.87 -40.07 83.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 3.2 tp60 -49.46 -55.19 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.12 -24.41 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -80.15 -15.27 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 47' ' ' ILE . 13.9 mt -82.77 -36.35 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -36.08 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.482 ' HA ' ' CG ' ' A' ' 25' ' ' MET . 22.2 pt-20 -68.43 -22.33 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.6 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -60.41 -34.49 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.23 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.482 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 9.0 ptp -46.2 -41.19 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.51 -46.92 87.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 23' ' ' MET . 18.2 m-85 -59.01 -49.57 77.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -56.66 -43.9 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 mtm -61.44 -17.07 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -127.02 85.12 61.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.59 18.27 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.43 157.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -103.15 110.84 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 32.45 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -98.76 -69.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.18 105.83 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -95.59 103.13 14.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -84.99 109.55 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -46.98 -33.78 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 10.7 p-10 -138.84 132.57 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.27 -32.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.4 p30 -79.14 2.38 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.79 95.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 44' ' ' LEU . 5.6 mt -69.41 -45.91 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 46' ' ' ASN . 98.1 m -59.95 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 50.1 m-80 -33.77 -38.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.468 ' CG2' HD12 ' A' ' 20' ' ' LEU . 94.7 mt -63.76 -52.19 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' THR . 74.2 mttt -55.24 -59.04 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 49' ' ' ARG . 1.5 mpt_? -44.74 -52.94 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' GLY . 1.2 t80 -54.54 -51.44 65.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.465 HD23 ' CB ' ' A' ' 13' ' ' LYS . 11.2 mt -46.2 -21.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -30.18 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.732 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.407 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 154.29 67.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.76 134.42 27.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.31 150.87 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.1 mt -79.3 88.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.07 126.56 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE1' HG12 ' A' ' 81' ' ' VAL . 17.9 p90 -151.67 179.93 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.34 126.54 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.53 124.94 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.1 m -76.95 121.96 24.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.54 94.22 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.03 78.96 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.55 115.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -44.94 -42.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -165.86 131.25 1.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.2 Cg_endo -69.72 127.93 11.66 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.307 -0.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.474 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 1.3 tppt? -49.69 91.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' PRO . 34.7 m -134.18 -176.77 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -123.53 128.51 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.4 mt -129.72 99.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 113.62 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 tp -104.16 109.56 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -90.58 102.15 14.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.542 HG12 ' CE1' ' A' ' 64' ' ' PHE . 1.3 p -92.01 144.41 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 m -136.86 106.78 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.402 ' SD ' ' OE2' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -106.83 98.65 21.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.242 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -73.97 -1.1 18.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 25.5 m -97.38 -62.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -34.18 147.5 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.739 . . . . 0.0 110.936 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 52.8 Cg_endo -69.8 -24.89 8.35 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.314 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.5 m-85 -33.93 -42.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 2.7 tt -101.61 149.74 23.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.46 94.79 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -48.99 177.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.406 ' N ' HD13 ' A' ' 92' ' ' LEU . 26.4 tt0 -127.48 122.49 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' CG2' ' A' ' 81' ' ' VAL . 5.5 mt -114.29 147.69 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.15 109.91 6.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.01 114.35 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.416 ' CB ' ' NE2' ' A' ' 106' ' ' GLN . 21.4 ptt85 -134.91 147.38 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -140.95 148.34 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.8 p -48.02 -39.01 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.01 -37.07 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -77.97 125.51 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -88.16 176.94 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -58.28 -37.76 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -65.58 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -41.66 -41.85 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' CB ' ' A' ' 97' ' ' ARG . 34.1 mt-30 -56.06 -47.23 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 108' ' ' LEU . 0.6 OUTLIER -55.58 -40.39 71.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' A' ' 107' ' ' LEU . 12.1 mt -66.98 -53.1 34.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.476 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 7.7 tp -53.05 -54.57 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' GLY . 29.7 m-80 -56.9 -65.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -40.09 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -83.23 -40.15 9.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 3.3 tp -74.72 -55.57 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 20.6 p -34.91 -59.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.1 m -55.93 -57.66 11.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.48 -31.86 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 16.2 mm -81.64 -33.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.18 -5.49 89.61 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 80.7 p -78.1 -12.91 60.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 111.098 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -75.72 -177.38 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.7 160.13 29.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.15 -20.99 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.93 170.74 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.2 mt -95.91 142.02 28.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 129' ' ' ALA . 56.3 m -115.57 -48.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -41.22 -34.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.58 -40.85 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 126' ' ' CYS . . . -76.83 -45.36 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.47 -50.92 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.7 mt -53.1 -74.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -44.42 -55.55 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 86.8 t90 -44.67 -54.35 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.69 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -42.32 -55.97 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.22 -37.82 78.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -112.48 62.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.5 t -125.54 -46.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.72 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.3 t -44.55 -33.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.476 ' CE2' ' HA ' ' A' ' 109' ' ' LEU . 12.3 m-85 -80.2 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' VAL . 75.6 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.943 0.401 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 87.5 t -36.72 -36.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' CA ' HD23 ' A' ' 51' ' ' LEU . 17.2 mtmm -44.42 -56.3 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' SER . 10.0 mm-40 -54.49 -66.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.2 p -36.21 -60.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.86 -34.03 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.543 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 1.5 tp60 -61.38 -56.17 23.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.22 -26.19 50.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.39 -15.26 62.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.7 mt -88.76 -44.2 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' CD1' ' CE ' ' A' ' 25' ' ' MET . 1.0 OUTLIER -60.21 -33.93 72.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.82 -32.43 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.15 -45.33 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 25' ' ' MET . 8.6 pt-20 -70.02 -42.69 72.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.409 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 14.8 mtm -60.57 -34.0 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.12 -51.23 48.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -51.33 -43.94 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -58.24 -41.54 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 mtm -71.52 -20.17 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CZ ' ' CG2' ' A' ' 66' ' ' ILE . 76.6 m-85 -118.97 84.67 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.0 4.64 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.0 134.42 57.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.76 -41.45 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.46 56.96 4.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -128.8 -65.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.98 121.71 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -113.34 118.19 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 mt -112.64 109.73 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -40.02 -37.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -150.52 126.28 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.57 -15.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -72.44 -10.28 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.79 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.27 -36.48 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.3 m -65.76 -57.71 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -38.6 -45.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' TYR . 93.0 mt -56.44 -62.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -39.62 -44.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -62.78 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.7 t80 -60.89 -52.36 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.408 HD23 ' CA ' ' A' ' 13' ' ' LYS . 50.6 mt -47.37 -35.08 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.66 -29.91 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.645 0.736 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 152.25 69.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -49.41 173.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.8 mt -101.09 95.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -116.78 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.8 p90 -153.64 -177.99 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.6 t -129.1 126.53 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.572 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 47.5 mt -107.55 137.2 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.3 m -93.81 116.03 28.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.18 93.39 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -74.44 86.7 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.418 HD13 ' CB ' ' A' ' 138' ' ' SER . 20.6 mm -64.44 106.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -39.63 -47.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.8 tt0 -160.91 125.26 2.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.73 148.11 85.99 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 -1.816 . . . . 0.0 112.367 -0.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.57 101.14 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.11 172.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -114.6 131.5 56.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.2 mt -135.32 112.45 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.86 117.76 18.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -105.46 106.19 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -81.2 97.5 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.431 ' CG2' HD22 ' A' ' 94' ' ' LEU . 5.2 p -94.12 143.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.9 m -136.04 118.21 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.4 mtt -111.26 98.59 40.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.521 0.677 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 173.03 11.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.594 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -68.22 -2.69 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' TYR . 3.2 m -95.83 -63.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.04 149.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.715 0.769 . . . . 0.0 110.873 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.8 Cg_endo -69.79 -4.31 8.26 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -38.92 -51.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 91' ' ' ALA . 2.8 pp -104.96 -174.15 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.492 ' N ' ' CD1' ' A' ' 90' ' ' LEU . . . -96.86 100.42 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 pp -45.67 171.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -117.3 119.0 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD22 ' CG2' ' A' ' 81' ' ' VAL . 9.2 mt -117.72 142.18 47.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -146.34 114.66 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.83 119.57 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.26 138.19 52.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -140.2 163.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -83.75 -43.11 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.92 -34.68 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.45 151.31 46.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ARG . 9.3 m-20 -112.09 157.3 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 19.8 ttp-105 -37.09 -63.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -45.85 -58.72 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LEU . 9.2 mm100 -51.5 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' GLN . 22.6 mt-30 -36.75 -50.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.0 -43.0 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLN . 36.5 mt -65.74 -50.87 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.1 -59.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -54.48 -65.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -44.02 -50.45 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.3 -43.25 98.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.28 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.9 p -40.5 -54.12 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -60.42 -43.16 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.35 -37.53 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.6 mm -79.63 -29.9 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.08 52.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.7 p -71.35 -47.19 57.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -40.43 148.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.05 157.88 37.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 151.29 68.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.13 -41.8 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -97.58 168.28 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.17 148.58 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 56.4 m -122.24 -43.14 2.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.2 p -47.96 -30.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.89 -39.69 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -45.37 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.34 -52.15 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 61.5 mt -43.26 -61.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -59.0 -45.86 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -52.45 -41.32 63.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 135' ' ' GLN . 6.2 mt -65.74 -62.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 134' ' ' LEU . 66.0 mt-30 -36.52 -49.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.56 -55.97 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -81.81 47.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.418 ' CB ' HD13 ' A' ' 70' ' ' ILE . 3.1 m -130.69 -60.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.91 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -59.89 -45.75 91.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -51.7 -42.2 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' LYS . 66.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 11' ' ' SER . 25.3 t -35.72 -30.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' SER . 57.0 mttp -37.92 -55.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -51.6 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 16' ' ' LEU . 5.0 p -43.08 -58.74 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' N ' ' OG ' ' A' ' 15' ' ' SER . 14.5 mt -53.86 -34.43 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -53.68 44.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.88 -15.78 56.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . 73.5 mt-30 -85.14 -16.4 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.5 -50.87 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.52 -39.5 91.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' CD ' ' HA ' ' A' ' 19' ' ' GLN . 19.7 pt-20 -54.88 -36.12 64.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.1 mmm -52.71 -50.28 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.76 -37.19 63.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.7 mtt -70.78 -39.73 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.82 -35.82 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.71 -38.38 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -65.36 -38.69 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.5 mtp -69.01 -25.45 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -117.39 81.41 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.42 20.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 m120 -65.9 92.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -45.6 90.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 163.64 -49.82 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -38.04 -56.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.7 t -85.46 103.82 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -97.09 110.87 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.68 119.82 30.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.81 -32.86 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -152.73 130.13 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 m -70.63 -12.17 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -98.47 10.97 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.15 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD2' HG12 ' A' ' 62' ' ' ILE . 5.2 mt -80.76 -42.92 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -58.93 -55.59 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -45.75 -30.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.1 mt -78.19 -43.36 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.37 -38.77 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -67.72 -24.63 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 5.3 t80 -75.26 -35.42 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.48 -44.29 97.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.62 -27.62 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.666 0.746 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.9 4.78 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -52.98 176.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 44' ' ' LEU . 34.0 mt -94.7 98.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -120.15 124.34 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.7 p90 -149.18 179.95 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -121.01 124.46 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.5 mt -106.54 128.22 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.8 m -88.09 133.47 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD13 ' CG ' ' A' ' 135' ' ' GLN . 4.3 mm? -99.78 108.23 20.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.14 77.94 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.28 122.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.57 -51.71 68.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 tt0 -155.98 123.92 2.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 151.31 91.28 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.34 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.99 97.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.16 172.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -120.61 133.96 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -132.6 104.76 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 113.5 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 94' ' ' LEU . 20.7 tp -105.28 124.48 49.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -97.8 100.05 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.451 ' CG2' HD22 ' A' ' 94' ' ' LEU . 2.2 p -90.7 127.61 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -129.35 96.82 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.0 117.92 69.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -97.01 9.22 42.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . 28.2 m -113.35 -54.75 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.81 150.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.703 0.763 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.76 -5.2 8.75 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.5 m-30 -34.34 -44.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -128.98 173.72 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.486 ' O ' ' CD2' ' A' ' 90' ' ' LEU . . . -74.23 114.43 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 4.3 pp -62.95 -174.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -107.38 135.4 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 81' ' ' VAL . 11.5 mt -140.34 142.65 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -149.53 113.37 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.18 120.67 6.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -113.44 134.6 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -139.39 152.94 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.5 p -74.89 -36.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.24 -52.36 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.498 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 61.1 mt -51.07 146.85 5.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -109.45 164.29 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -43.39 -53.96 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.79 -65.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLN . 10.9 mm100 -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 105' ' ' GLN . 1.1 tt0 -34.41 -59.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.84 -57.13 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -48.83 -55.09 12.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -57.63 9.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -52.53 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -43.17 -53.24 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.03 -34.07 77.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.44 -60.59 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.5 p -42.96 -61.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.1 t -49.82 -50.97 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 133' ' ' TRP . 18.4 t80 -52.32 -29.24 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.5 mm -85.25 -18.12 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.08 -11.99 84.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.3 p -76.34 -35.39 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.35 156.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.96 156.96 41.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 105.42 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.17 -45.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.3 mm-40 -79.67 176.8 9.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.64 142.18 28.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 77.1 m -115.69 -40.25 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.88 -29.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.05 -24.21 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.13 -28.18 18.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.28 74.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.14 -65.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -53.97 -37.64 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' ND2' ' A' ' 137' ' ' ASN . 88.7 t90 -61.35 -46.22 91.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' SER . 8.0 mt -59.05 -56.24 24.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.402 ' CG ' HD13 ' A' ' 68' ' ' LEU . 45.4 mt-30 -51.66 -53.66 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.69 -36.79 84.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.461 ' ND2' ' CD1' ' A' ' 133' ' ' TRP . 39.3 m-20 -111.74 43.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.1 t -107.74 -55.54 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' PHE . . . -52.0 -49.23 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.7 t -42.29 -38.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -79.97 -30.81 39.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.498 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 26.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 52.7 t -50.26 -44.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' VAL . 47.4 mttt -36.71 -53.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -52.3 -67.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -38.46 -63.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . 46.7 mt -45.16 -37.21 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -45.15 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 4.0 mp -74.13 -23.06 59.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -69.64 -30.06 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.3 mt -88.66 -23.75 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.13 -58.02 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.951 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 23' ' ' MET . 0.2 OUTLIER -47.07 -39.07 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 55.6 mmm -44.53 -51.7 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.92 -41.18 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 29.0 mtt -70.87 -65.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD1' ' OE1' ' A' ' 22' ' ' GLU . 75.0 mt -41.98 -44.96 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 23' ' ' MET . 9.3 m-85 -57.81 -47.19 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -62.99 -38.27 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.2 mtm -71.01 -26.49 63.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -126.46 80.48 69.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.54 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 32.2 m-20 -49.76 118.07 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 92.36 -38.61 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.438 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.8 mm-40 -36.13 -71.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.89 89.65 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -73.86 112.1 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.56 119.01 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -48.94 -36.49 17.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -146.88 129.29 15.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 m -71.83 -14.3 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.78 14.23 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.65 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.4 -54.37 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.7 m -50.24 -52.98 31.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -44.11 -43.4 6.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 16' ' ' LEU . 69.6 mt -62.38 -49.17 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -48.04 -41.58 26.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -64.98 -31.95 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 21.6 t80 -78.31 -13.5 59.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.7 mt -86.21 -7.23 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.68 -22.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.555 0.693 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 160.14 50.79 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.11 17.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -52.16 170.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.7 mt -93.1 95.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.94 126.05 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CZ ' HG11 ' A' ' 81' ' ' VAL . 44.6 p90 -154.01 -179.98 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -130.89 135.01 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.9 mt -107.48 135.8 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.0 m -95.63 107.9 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.94 111.32 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.46 81.76 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.7 mm -61.67 118.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.09 -45.04 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 pm0 -161.44 130.78 3.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.73 127.71 11.31 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.397 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 2.8 tppt? -45.85 90.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' PRO . 28.2 m -141.72 154.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -97.97 132.68 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.1 mt -129.47 115.52 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.75 119.09 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tp -110.43 105.37 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.9 116.31 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.563 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.9 p -110.64 127.68 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 m -127.13 99.0 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 87' ' ' TYR . 1.7 mtm -102.07 110.59 62.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.88 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.55 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.3 m170 -82.94 -4.69 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 25.9 m -90.15 -58.58 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.654 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -37.06 150.14 0.15 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.678 0.751 . . . . 0.0 110.926 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.81 8.38 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.321 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 15.5 m-85 -34.08 -45.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 5.2 tt -100.87 150.52 22.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.54 113.83 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.42 179.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -121.49 123.93 43.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 81' ' ' VAL . 8.3 mt -126.04 123.42 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.71 119.91 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.76 133.43 11.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -133.83 137.86 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -138.43 145.41 40.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 m -76.12 -8.21 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -101.42 -46.08 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.497 HD22 ' CE1' ' A' ' 142' ' ' PHE . 15.1 mt -65.68 148.86 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -98.51 172.98 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -52.94 -61.88 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -48.2 -52.3 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -54.53 -60.31 3.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -38.74 -57.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 107' ' ' LEU . 4.3 mm? -39.47 -47.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.78 -54.07 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.68 -61.22 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -48.22 -61.41 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -43.38 -56.32 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.14 62.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 11.2 tp -68.83 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.92 0.39 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.3 p -37.91 -46.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -70.03 -43.39 71.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.475 ' CD2' ' CD1' ' A' ' 133' ' ' TRP . 42.8 t80 -57.02 -19.63 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.24 -12.26 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.92 6.02 68.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.3 p -102.13 -14.15 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -68.9 160.23 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.71 153.31 37.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.68 3.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.61 -39.07 1.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.05 164.71 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.06 152.22 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 33.8 m -124.29 -28.05 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 128' ' ' CYS . 6.5 p -63.48 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.4 ' N ' HG11 ' A' ' 127' ' ' VAL . 9.8 t -64.48 -34.04 77.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.31 -45.54 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.24 -47.6 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 26' ' ' LEU . 72.4 mt -48.41 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -55.41 -58.3 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.475 ' CD1' ' CD2' ' A' ' 116' ' ' TYR . 44.0 t90 -38.83 -44.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 135' ' ' GLN . 6.7 mt -59.7 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' LEU . 59.2 mt-30 -36.22 -55.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.42 -46.83 78.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.45 54.3 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -131.5 -66.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -40.62 -54.38 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 t -44.68 -43.05 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.77 -36.74 83.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.497 ' CE1' HD22 ' A' ' 101' ' ' LEU . 18.1 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 16' ' ' LEU . 46.8 t -45.95 -25.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -44.05 -64.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -38.54 -65.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 12' ' ' VAL . 17.9 mt -49.28 -55.89 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.82 -51.18 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.8 mt -52.02 -35.82 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HG2' ' CD1' ' A' ' 87' ' ' TYR . 73.9 mt-30 -62.33 -42.38 99.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.52 -30.28 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.36 -55.62 29.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' OE1' ' CE ' ' A' ' 83' ' ' MET . 2.8 pt-20 -56.83 -33.26 66.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.451 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 80.6 mmm -57.56 -56.83 16.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.24 -21.07 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.3 mtt -88.04 -28.81 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.3 -40.86 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -55.62 -53.21 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -34.94 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -68.5 -32.22 72.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -118.11 80.79 15.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.41 93.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -38.9 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.85 -44.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.31 -65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.2 t -90.33 128.94 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -118.05 111.53 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.96 104.54 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -43.22 -35.92 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.65 109.22 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 m -58.17 -17.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -68.79 -14.0 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 -45.96 80.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.47 -39.65 88.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -63.85 -56.95 11.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -44.09 -30.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' ARG . 69.4 mt -71.8 -62.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -38.73 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' ILE . 93.2 mtt-85 -68.94 -53.58 20.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.3 t80 -50.66 -45.86 58.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 mt -44.45 -32.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -30.13 20.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' N ' HD11 ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.73 158.92 55.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -45.68 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.6 mt -95.97 100.17 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -123.19 124.18 42.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.6 p90 -149.56 -179.06 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 t -124.06 124.98 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.3 mt -107.32 125.53 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -89.75 106.82 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.97 98.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -72.6 81.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 138' ' ' SER . 18.6 mm -66.88 109.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -47.15 -47.15 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.7 pt-20 -158.47 131.92 4.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.3 Cg_endo -69.74 128.33 12.36 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.364 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 tptt -48.16 94.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.59 176.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -119.52 133.21 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -131.8 110.46 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.86 108.59 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 tp -102.12 116.12 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.96 105.57 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 2.6 p -96.32 127.95 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 m -125.55 102.51 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.486 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -97.14 114.91 65.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.459 ' CG ' HD23 ' A' ' 90' ' ' LEU . 54.3 Cg_endo -69.68 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 58' ' ' LEU . 15.2 m170 -81.93 -29.84 32.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 1.5 m -77.03 -45.39 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -35.01 146.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.6 Cg_endo -69.82 -28.07 6.5 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.339 -0.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 22.2 m-85 -34.07 -40.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 6.0 tp -99.19 156.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' HG ' ' A' ' 90' ' ' LEU . . . -77.66 120.9 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.92 -174.85 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -131.27 118.78 20.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.99 147.14 43.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -144.66 114.8 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.37 121.42 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -145.35 138.55 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -128.64 163.04 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -63.51 -49.28 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.04 -56.28 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.5 mt -41.36 135.21 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.89 171.28 8.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -48.03 -66.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -44.35 -48.55 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -55.75 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' GLN . 37.3 mt-30 -36.91 -53.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.37 -50.91 64.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.86 -55.03 40.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.44 -57.16 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -57.17 -63.35 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -42.38 -51.11 5.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.43 90.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' THR . 16.0 tp -63.43 -68.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LEU . 6.1 p -35.37 -58.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 t -60.81 -40.24 91.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 42.9 t80 -63.38 -21.33 66.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 40.6 mm -92.17 -14.04 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.85 17.51 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 14.53 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -99.81 152.76 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 147.42 65.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.62 17.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.417 ' CA ' ' HG2' ' A' ' 88' ' ' PRO . . . 117.43 -29.66 6.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -98.38 159.02 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.26 152.96 44.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.3 m -128.2 -43.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 128' ' ' CYS . 10.3 p -49.4 -44.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.438 ' N ' HG11 ' A' ' 127' ' ' VAL . 16.9 m -53.51 -27.94 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.89 -39.13 18.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.17 -45.38 75.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.1 mt -51.12 -59.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.16 -44.41 95.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.26 -36.47 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 138' ' ' SER . 4.7 mt -72.15 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -40.64 -55.77 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.61 -47.54 83.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -99.7 44.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 134' ' ' LEU . 13.8 t -106.29 -51.87 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -67.6 -43.99 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.047 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 21.0 m -41.58 -24.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 139' ' ' ALA . 37.4 m-85 -85.77 -51.99 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' VAL . 48.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' SER . 84.0 t -33.94 -42.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.547 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 37.9 mtmt -37.3 -49.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.52 -55.37 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 m -49.76 -52.15 33.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 23.1 mt -59.73 -43.37 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.97 -49.57 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.08 -25.58 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 69.4 mt-30 -82.09 -23.43 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD12 ' CG2' ' A' ' 47' ' ' ILE . 32.7 mt -81.52 -37.73 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -74.23 -42.56 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' ' CE ' ' A' ' 83' ' ' MET . 9.5 pt-20 -56.65 -33.92 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 62.8 mmm -56.42 -26.45 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -82.83 -50.09 9.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.1 ptp -59.63 -26.73 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.08 -48.77 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 23' ' ' MET . 10.9 m-85 -55.04 -55.22 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -44.31 -44.59 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtp -60.34 -39.95 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 64.9 m-85 -105.13 96.48 11.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.72 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -53.91 105.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -59.95 129.54 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.95 -40.25 1.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -40.78 -56.16 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 64' ' ' PHE . 94.1 t -83.09 103.4 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -87.2 103.18 15.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.07 104.37 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -45.31 -38.69 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -136.89 116.37 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.29 -32.85 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -84.48 28.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.11 -42.19 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.75 -50.82 31.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -47.29 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -42.85 -62.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CG2' HD12 ' A' ' 20' ' ' LEU . 77.1 mt -40.01 -58.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -45.04 -44.19 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -41.92 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.547 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 53.0 t80 -55.57 -44.94 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 13' ' ' LYS . 37.5 mt -53.53 -41.71 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.14 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HG3' ' CB ' ' A' ' 50' ' ' TYR . 53.3 Cg_endo -69.86 158.87 55.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.4 30.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 175.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.1 mt -104.42 102.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -123.15 129.49 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' A' ' 36' ' ' VAL . 17.7 p90 -159.11 178.35 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.6 t -121.58 131.09 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mt -106.51 124.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -82.61 109.02 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 131' ' ' ILE . 4.5 mm? -78.54 91.71 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -70.54 76.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' GLU . 43.7 mm -60.96 97.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' ILE . 26.5 mt-10 -36.08 -60.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.482 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.8 tt0 -148.63 126.63 5.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.78 150.86 90.86 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.336 -0.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -72.12 100.71 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.4 m -144.54 149.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -98.12 121.99 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.3 mt -121.02 101.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.5 103.79 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.7 tp -94.51 111.14 22.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -87.5 95.98 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 ' CG2' HD21 ' A' ' 94' ' ' LEU . 5.8 p -92.01 144.83 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.2 m -141.98 121.12 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.448 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 8.0 mtt -110.34 98.34 35.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.41 ' CG ' HD22 ' A' ' 90' ' ' LEU . 53.7 Cg_endo -69.77 171.75 13.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.546 ' CE1' HD13 ' A' ' 58' ' ' LEU . 8.8 m170 -59.57 -14.07 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 19.2 m -86.65 -63.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -32.85 146.56 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.352 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -33.65 -48.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.0 tt -95.3 148.2 22.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' C ' HD21 ' A' ' 90' ' ' LEU . . . -69.57 95.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.0 pp -47.0 174.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.468 ' N ' HD12 ' A' ' 92' ' ' LEU . 43.3 mt-30 -119.15 125.86 50.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 92' ' ' LEU . 11.3 mt -123.7 131.39 53.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -138.98 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -113.04 130.16 9.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -128.01 134.26 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 t -140.73 163.11 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -53.38 -53.55 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -55.59 -52.51 63.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -75.34 121.14 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.85 -71.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -126.46 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -59.94 -44.25 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.75 -55.34 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' LEU . 30.4 mt-30 -52.03 -62.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLN . 19.6 mt -35.67 -55.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' CE1' ' A' ' 141' ' ' TYR . 83.3 mt -50.16 -47.68 54.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 141' ' ' TYR . 6.0 tp -67.52 -57.66 6.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.24 -63.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -39.36 -40.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.83 -47.69 24.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.67 -57.57 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 22.7 p -47.3 -50.21 22.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -41.16 86.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 27.1 t80 -58.02 -42.46 85.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.0 mm -77.47 -38.02 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.67 -28.47 15.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.3 p -67.64 -44.95 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -38.22 145.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.6 158.16 33.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.48 5.11 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.68 -44.73 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.2 pt-20 -100.38 176.8 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.2 mt -79.71 165.39 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 75.2 m -133.82 -53.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 128' ' ' CYS . 12.7 p -44.26 -39.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.459 ' N ' HG13 ' A' ' 127' ' ' VAL . 22.1 p -56.5 -40.55 75.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -38.52 59.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.71 -58.14 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 68' ' ' LEU . 31.5 mt -46.37 -58.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -54.85 -56.89 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 81.1 t90 -47.52 -59.35 3.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.4 mt -48.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -45.85 -47.8 15.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -43.34 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 133' ' ' TRP . 0.8 OUTLIER -117.65 43.65 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.4 t -90.45 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.446 ' HB3' ' CD ' ' A' ' 73' ' ' PRO . . . -54.72 -46.27 74.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 139' ' ' ALA . 66.6 m -34.09 -45.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 109' ' ' LEU . 99.7 m-85 -73.63 -63.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 47.5 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -41.12 -40.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 29.8 mtmt -38.79 -45.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.17 -65.52 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 49.8 m -43.74 -61.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.1 mt -47.67 -45.92 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.91 42.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 18' ' ' LEU . 7.0 mp -72.22 -29.45 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 16.0 mt-30 -64.05 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.1 mt -72.68 -33.2 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.07 -56.87 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.497 ' OE1' ' CE ' ' A' ' 83' ' ' MET . 2.8 pt-20 -47.43 -36.58 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 48.5 mmm -57.37 -35.41 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.58 -38.0 70.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtt -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.37 -56.38 16.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 23' ' ' MET . 15.3 m-85 -45.48 -54.16 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -58.9 -41.55 87.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtm -65.04 -23.01 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -121.4 81.16 38.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -20.81 34.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -85.04 121.75 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.0 132.1 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.06 -41.84 1.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -61.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.497 HG11 ' CD2' ' A' ' 64' ' ' PHE . 22.8 t -93.6 115.59 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -110.6 98.0 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.7 mt -82.8 131.19 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.4 -22.03 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.9 p-10 -164.68 124.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.478 HG21 ' ND2' ' A' ' 42' ' ' ASN . 33.4 m -66.42 -20.74 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.478 ' ND2' HG21 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -81.35 -17.13 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB1' ' CG ' ' A' ' 40' ' ' ASP . . . -56.11 -31.12 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.34 -36.74 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ILE . 66.7 m -69.05 -63.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . 75.5 m-20 -36.3 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' THR . 76.4 mt -68.96 -61.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -41.46 -30.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.51 -42.84 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 45.1 t80 -57.51 -26.75 61.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.8 -52.09 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.44 -13.15 50.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.652 0.739 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.7 159.46 53.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.363 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 128.73 16.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -53.5 169.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.25 108.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.86 137.79 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CD2' HG11 ' A' ' 36' ' ' VAL . 1.8 p90 -165.52 179.69 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.58 125.7 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -107.06 129.96 59.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.7 m -87.64 135.39 33.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -101.33 93.68 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -68.93 75.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.7 mm -57.79 107.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -49.89 -54.95 16.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 4.8 tt0 -145.76 123.46 6.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 148.58 86.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.371 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -66.63 80.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -126.42 171.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -115.44 143.25 45.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.4 mt -145.52 132.62 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.65 128.07 44.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 94' ' ' LEU . 8.9 tp -114.86 116.72 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.543 ' NE2' HH21 ' A' ' 97' ' ' ARG . 21.0 mt-30 -88.27 105.28 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 p -100.35 136.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.3 m -139.94 108.0 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.497 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -112.08 117.09 48.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.843 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.551 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -84.08 0.39 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.2 t -98.37 -58.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.59 150.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.698 0.761 . . . . 0.0 110.889 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.549 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 54.1 Cg_endo -69.75 -1.44 6.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.401 -0.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.421 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 4.5 m-30 -39.19 -52.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 2.4 pp -103.29 -174.06 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' HD11 ' A' ' 90' ' ' LEU . . . -96.98 97.23 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 87' ' ' TYR . 4.1 pp -46.96 172.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.41 ' N ' HD11 ' A' ' 92' ' ' LEU . 38.9 tt0 -111.22 133.11 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.439 ' CD2' HD12 ' A' ' 79' ' ' LEU . 6.7 mt -129.03 144.59 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.24 106.02 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.07 125.48 8.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.543 HH21 ' NE2' ' A' ' 80' ' ' GLN . 75.2 mtm180 -130.86 134.64 46.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -140.67 150.54 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.1 p -63.95 -41.45 97.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -67.33 -49.43 64.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.9 135.85 49.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.82 173.62 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -54.61 -55.93 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -53.89 -59.44 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -45.36 -50.14 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -50.47 -59.61 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.8 mt -39.65 -45.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.03 -44.6 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.39 -57.3 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -60.87 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -42.38 -49.85 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.25 -35.96 91.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.6 -50.92 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.5 p -49.98 -47.58 52.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -60.01 -45.16 93.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.512 ' CG ' ' CD1' ' A' ' 133' ' ' TRP . 53.2 t80 -58.56 -38.78 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.2 mm -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.6 -20.71 56.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.8 p -73.92 -39.24 63.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -47.13 156.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -108.03 158.12 34.42 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.7 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.42 -33.74 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 9.0 pt-20 -111.29 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.79 152.13 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.7 -48.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.1 p -45.54 -33.82 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 45.5 t -59.18 -41.29 88.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.51 -49.09 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.98 -44.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 71.4 mt -51.83 -64.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -57.69 -54.64 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.512 ' CD1' ' CG ' ' A' ' 116' ' ' TYR . 69.7 t90 -41.9 -51.93 4.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 135' ' ' GLN . 3.3 mt -54.27 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 134' ' ' LEU . 47.5 mt-30 -35.03 -61.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.18 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -89.54 59.85 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -128.64 -54.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.13 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 t -41.76 -45.64 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -72.21 -62.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 11.3 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 42.0 t -36.21 -39.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' VAL . 72.3 mttt -35.8 -66.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -49.23 -51.29 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -49.89 -57.64 7.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . 66.8 mt -55.26 -52.01 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -40.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 18' ' ' LEU . 8.9 mp -72.96 -37.1 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 84' ' ' PRO . 67.5 mt-30 -55.04 -40.74 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.57 -29.65 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.18 -55.63 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 125' ' ' LEU . 2.6 pp20? -60.78 -36.05 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mmm -51.27 -50.74 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.95 -48.84 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtt -58.72 -36.5 74.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.37 -48.01 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -54.97 -51.13 67.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -61.11 -42.39 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.7 mtp -62.52 -29.7 70.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -118.38 82.25 18.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.55 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -59.99 95.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -41.78 133.69 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.74 -45.29 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.97 -69.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 64' ' ' PHE . 61.3 t -78.05 126.87 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.26 96.75 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -53.41 -15.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -171.53 111.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.31 -11.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -76.07 -11.22 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.89 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.38 -36.59 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -65.98 -63.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -37.33 -47.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 16' ' ' LEU . 81.0 mt -54.65 -51.05 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -51.15 -19.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 mmm-85 -83.34 -34.22 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.88 -42.8 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.88 -28.39 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -30.14 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 159.12 54.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -55.91 179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.8 mt -105.52 97.01 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -123.13 133.98 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CD2' HG12 ' A' ' 36' ' ' VAL . 30.8 p90 -163.1 177.98 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.06 129.61 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.0 mt -107.32 124.96 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.7 m -84.36 101.61 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 68' ' ' LEU . 3.7 mm? -66.05 100.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 75.43 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.64 130.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.2 -42.82 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tt0 -160.94 123.9 1.85 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.77 140.63 61.71 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.353 0.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.22 84.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.99 168.03 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -110.03 142.81 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.8 mt -143.79 114.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -80.48 116.14 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' A' ' 94' ' ' LEU . 11.2 tp -104.58 110.61 22.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -82.82 91.67 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 82' ' ' THR . 9.7 p -85.03 147.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.477 ' N ' HG22 ' A' ' 81' ' ' VAL . 9.0 m -141.5 108.83 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.578 ' SD ' ' CE1' ' A' ' 87' ' ' TYR . 19.6 mtm -107.45 106.36 58.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.457 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 53.8 Cg_endo -69.78 -168.89 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.57 ' CE1' HD13 ' A' ' 58' ' ' LEU . 6.9 m170 -80.21 -22.8 41.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 90' ' ' LEU . 55.7 m -79.1 -52.74 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE1' ' SD ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -32.93 146.24 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.685 0.755 . . . . 0.0 110.911 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.569 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.72 -24.8 8.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.342 -0.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 88' ' ' PRO . 7.3 m-85 -31.76 -41.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 86' ' ' SER . 6.4 tt -98.55 160.87 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' N ' HD22 ' A' ' 90' ' ' LEU . . . -86.3 96.87 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 87' ' ' TYR . 3.9 pp -46.44 170.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.6 115.85 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' A' ' 79' ' ' LEU . 13.9 mt -111.72 140.89 45.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -150.05 111.8 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.33 142.15 15.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -147.46 134.5 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 m -140.98 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 m -78.23 -53.78 6.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -54.11 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.08 157.57 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -109.04 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.02 -50.08 73.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -56.96 -58.49 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -52.16 -58.8 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -39.5 -52.89 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.8 mt -49.1 -41.05 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.52 -44.74 81.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.37 -54.35 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -57.36 -63.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -41.24 -48.71 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.0 -44.36 98.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' THR . 13.9 tp -68.82 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.8 p -37.13 -51.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 m -62.16 -46.6 88.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -54.63 -35.07 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.3 mm -81.78 -30.35 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.51 -6.1 53.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 74.2 p -93.41 -32.56 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -42.85 159.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 2.8 t70 -90.76 140.85 26.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 121' ' ' ASP . 53.4 Cg_endo -69.77 96.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 156.62 -22.68 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -112.07 174.48 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 22' ' ' GLU . 61.2 mt -78.27 147.98 34.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.7 m -124.43 -40.92 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 128' ' ' CYS . 13.3 p -55.15 -29.3 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.447 ' N ' HG13 ' A' ' 127' ' ' VAL . 30.9 p -64.37 -28.36 69.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.52 -48.5 7.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.28 -34.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.37 -56.13 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.97 -52.84 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -43.73 -46.84 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' GLN . 11.1 mt -63.59 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' LEU . 42.7 mt-30 -36.83 -48.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.34 -51.97 26.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -89.63 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.3 t -109.41 -50.39 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.23 -48.63 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 p -38.94 -40.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -74.71 -55.45 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t -38.67 -37.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -47.2 -69.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -45.96 -48.43 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 m -50.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -39.5 -46.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.48 -53.78 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 18' ' ' LEU . 3.3 mm? -57.87 -29.3 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -75.11 -14.94 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.1 mt -91.91 -52.53 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.08 -30.97 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.8 pp20? -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mmm -69.12 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 26.4 mtm -79.65 -28.53 40.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -48.3 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -48.56 -54.99 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -52.43 -38.45 59.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.0 mtm -68.3 -33.7 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.81 80.58 14.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -35.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -62.93 95.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -42.91 152.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.99 -42.88 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -68.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.518 HG13 ' CD2' ' A' ' 64' ' ' PHE . 46.8 t -81.02 106.55 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -95.34 104.67 16.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -93.72 122.06 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -52.16 -36.79 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.05 127.08 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.43 -13.46 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.44 2.06 56.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.25 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.5 -45.57 62.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ASN . 95.2 m -59.89 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' THR . 90.8 m-20 -35.25 -45.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.7 mt -58.02 -58.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -38.96 -34.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -72.85 -44.93 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.8 t80 -58.93 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.22 -33.49 75.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 52' ' ' GLU . 2.4 tp10 -74.63 -28.9 61.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.539 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.44 ' N ' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.69 159.32 53.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 111.9 2.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.52 167.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.3 mt -94.14 97.93 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -120.04 127.73 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CD2' HG13 ' A' ' 36' ' ' VAL . 9.2 p90 -152.94 -178.66 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -125.76 129.56 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.9 mt -109.28 127.85 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -86.43 111.18 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.18 98.32 8.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.28 69.62 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.5 mm -47.94 114.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -54.67 -59.17 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 15.0 tt0 -141.47 121.93 8.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.79 157.76 91.79 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -77.84 94.98 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.93 164.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -109.97 131.65 54.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.4 mt -136.01 117.43 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.28 117.86 20.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -107.67 107.9 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -83.59 109.5 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.471 ' CG2' HD22 ' A' ' 94' ' ' LEU . 2.2 p -104.02 129.36 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -127.93 106.85 9.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.08 122.01 55.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.458 ' CG ' ' HB3' ' A' ' 90' ' ' LEU . 54.4 Cg_endo -69.75 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.539 ' CE1' HD11 ' A' ' 58' ' ' LEU . 14.0 m170 -87.87 -28.42 21.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.6 m -77.09 -45.43 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.55 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -32.32 144.55 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.693 0.759 . . . . 0.0 110.903 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.72 5.49 3.64 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 -1.796 . . . . 0.0 112.365 -0.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.506 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 79.5 m-85 -80.64 25.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -148.11 161.23 41.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -87.27 76.43 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 pp -41.88 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -113.4 124.08 51.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 81' ' ' VAL . 5.6 mt -122.25 122.76 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -130.92 113.12 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.35 116.94 5.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -122.27 134.31 54.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -140.11 139.19 35.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.0 p -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.59 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.548 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 81.2 mt -57.1 136.42 56.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 103' ' ' ARG . 30.2 m-20 -92.42 163.85 13.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASP . 22.2 ttm180 -34.34 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -51.93 -56.6 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.04 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -37.99 -43.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -53.97 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.99 -46.33 71.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.08 -57.5 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -52.01 -56.08 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -40.79 -45.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.95 -46.53 72.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.5 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 11.1 tp -65.07 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 p -37.82 -54.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 m -68.12 -35.67 78.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 50.7 t80 -60.87 -22.64 64.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.3 mm -93.2 -34.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.89 -15.42 27.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -77.99 -45.79 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.149 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -42.07 141.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.3 159.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 131.35 21.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.68 -46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -95.3 160.13 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -68.4 155.99 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 69.3 m -125.81 -45.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 128' ' ' CYS . 11.2 p -50.64 -41.54 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.406 ' N ' HG11 ' A' ' 127' ' ' VAL . 20.8 t -56.74 -25.62 55.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.01 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 94' ' ' LEU . . . -48.46 -53.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.9 mt -46.87 -62.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -53.97 -47.5 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TRP . . . . . 0.5 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 90.6 t90 -51.73 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 135' ' ' GLN . 10.3 mt -40.97 -61.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.3 mm-40 -35.66 -49.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.1 -46.59 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -89.73 46.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -117.52 -52.57 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -60.46 -49.06 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' ALA . 5.1 t -37.13 -36.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -86.72 -47.22 9.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.548 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 23.5 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -153.43 147.31 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.83 -52.43 12.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -124.86 165.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -175.0 131.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.47 -126.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 mtp -117.03 123.75 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -171.79 163.49 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.07 149.14 52.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' VAL . 5.9 t -85.77 125.37 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.1 t -37.0 -41.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' VAL . 18.2 mtpt -36.01 -60.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -53.71 -59.21 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -40.6 -62.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.7 mt -49.51 -42.13 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -47.91 75.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 18' ' ' LEU . 10.0 mp -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -82.36 -19.59 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.6 mt -93.03 -37.59 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' CD1' ' HE3' ' A' ' 25' ' ' MET . 1.0 OUTLIER -65.55 -41.13 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.08 -24.85 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.4 mmm -62.33 -44.24 96.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.44 -32.29 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.428 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 4.6 mtm -74.98 -43.25 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.84 -44.06 97.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.24 -36.14 74.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -67.89 -46.07 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mtm -68.68 -10.92 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD1' ' OE1' ' A' ' 35' ' ' GLU . 57.6 m-85 -126.74 89.14 52.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -31.59 20.28 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -68.79 136.81 53.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.61 -28.99 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.96 40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 9.8 mm-40 -112.2 -74.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.4 t -83.39 112.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -103.05 102.53 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.44 120.62 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.35 -33.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -158.47 123.62 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 m -63.54 -16.28 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -91.4 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.84 -35.55 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -63.8 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -38.77 -36.88 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' TYR . 47.0 mt -68.83 -59.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -42.17 -28.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -75.26 -39.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -62.13 -32.07 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.13 -32.53 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -72.05 -30.0 64.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.53 -6.64 59.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -66.88 -36.13 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -101.76 95.16 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -62.45 -30.46 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 127.15 31.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -63.72 120.89 67.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' N ' HD12 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.76 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.98 20.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -56.36 170.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 67.2 mt -94.99 93.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -113.09 132.26 55.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.45 ' CZ ' HG12 ' A' ' 81' ' ' VAL . 3.1 p90 -156.85 175.51 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.97 125.07 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.0 mt -107.0 129.46 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.8 m -88.83 127.14 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.02 102.1 14.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' NE2' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -78.6 73.52 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.0 mm -59.44 121.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.49 -37.94 80.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.3 tt0 -164.2 124.74 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.2 Cg_endo -69.82 134.6 30.25 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.288 0.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -52.57 90.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 73' ' ' PRO . 32.1 m -139.91 173.81 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -124.46 130.16 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.85 106.65 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.41 118.09 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.3 tp -109.82 111.45 22.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -90.04 102.8 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.45 HG12 ' CZ ' ' A' ' 64' ' ' PHE . 2.1 p -96.83 136.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.1 m -136.15 108.56 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.29 101.83 33.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.485 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -76.24 3.78 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 53.9 m -102.34 -62.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -36.64 150.01 0.14 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.79 -24.33 8.64 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.334 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.0 m-85 -34.52 -44.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 4.0 tt -100.62 154.35 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.83 100.96 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 87' ' ' TYR . 3.4 pp -54.63 175.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.425 ' N ' HD13 ' A' ' 92' ' ' LEU . 5.9 tp60 -121.74 125.33 46.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 mt -122.66 154.91 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -139.33 111.34 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.07 111.75 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -144.17 144.47 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.17 148.42 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 p -48.7 -45.02 38.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.78 -61.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.6 mt -39.65 155.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -113.37 177.6 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -59.12 -58.01 10.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -56.75 -47.25 80.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -54.92 -61.1 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 107' ' ' LEU . 26.0 mt-30 -39.64 -61.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' GLN . 14.2 mt -38.15 -55.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.85 -50.94 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.617 ' CD1' ' CD2' ' A' ' 141' ' ' TYR . 4.8 tp -58.4 -65.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -44.44 -55.86 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -49.87 -56.88 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.75 -33.25 42.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 114' ' ' THR . 6.1 tp -76.1 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.0 p -35.1 -49.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 73.9 m -61.26 -46.72 89.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 113' ' ' LEU . 62.3 t80 -55.12 -43.68 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.3 mm -75.5 -23.6 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 10.83 58.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.4 p -115.23 17.6 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -101.41 158.61 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.93 144.92 37.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 94.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.28 -33.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 4.3 pt-20 -105.76 169.87 8.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.5 mt -76.75 155.34 33.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.3 m -125.6 -35.56 2.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.45 -28.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 15.1 m -69.17 -23.97 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -93.28 -29.35 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.22 -35.79 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.95 -59.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.91 -45.56 92.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -49.43 -56.45 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.5 mt -53.44 -56.87 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -46.31 -62.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -41.08 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.26 50.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.9 t -105.95 -43.55 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.34 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -43.64 -37.4 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.617 ' CD2' ' CD1' ' A' ' 109' ' ' LEU . 91.0 m-85 -77.68 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -46.97 -52.35 14.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 97.9 mt -38.89 106.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -141.48 164.85 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -98.63 95.37 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -141.21 125.91 17.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.455 ' CD1' ' C ' ' A' ' 147' ' ' LEU . 1.3 tm? -77.83 97.28 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.91 -27.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 59.5 p -65.59 135.87 55.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -173.86 154.22 19.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.78 29.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.5 m -123.47 162.72 22.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 11.8 m -134.23 120.96 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.7 p -166.83 146.05 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -94.28 7.96 43.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.63 -127.29 44.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -98.31 160.4 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -124.44 168.17 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.91 67.56 1.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.68 173.86 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -82.18 141.75 32.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 146.47 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 15.4 t -81.08 129.91 34.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.4 t -35.56 -41.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' VAL . 31.7 mtmt -36.3 -52.05 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -59.37 -49.86 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.2 m -54.18 -51.78 63.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.2 mt -58.89 -35.05 72.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -47.46 85.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.86 -25.27 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -81.21 -14.63 57.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.1 -55.46 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 1.1 pp -53.53 -30.81 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -67.9 -29.78 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.8 mmm -64.5 -48.26 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -63.82 -23.33 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 34.9 mtm -88.28 -35.43 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.64 -45.39 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.88 -44.6 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 t -63.25 -46.0 88.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.6 mtm -60.42 -20.0 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 74.2 m-85 -117.51 89.77 33.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.8 37.14 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.43 -20.29 53.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 42.66 52.52 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -48.36 -45.53 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.57 91.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -85.7 110.41 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.7 mt -99.43 108.73 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' LEU . 16.7 pt-20 -36.57 -46.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.75 129.87 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.12 -16.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 35.3 m-80 -88.31 1.92 53.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.48 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.75 -43.62 36.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -61.45 -48.16 82.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 42' ' ' ASN . 36.2 m-20 -51.33 -48.68 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 59.0 mt -48.85 -57.15 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -44.73 -40.53 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.44 -37.32 77.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -59.68 -48.7 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.41 -34.15 10.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -30.25 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.4 -15.9 37.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -59.87 -14.22 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -124.07 97.36 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -60.24 -33.08 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 118.57 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.567 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -65.98 124.01 86.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 155.68 65.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.612 2.208 . . . . 0.0 112.369 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -52.26 156.97 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 72.6 mt -82.99 102.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' CG ' HG23 ' A' ' 82' ' ' THR . 5.4 mt-10 -120.91 133.75 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.519 ' CZ ' HG12 ' A' ' 81' ' ' VAL . 13.1 p90 -162.07 -179.69 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.4 t -131.31 128.46 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.562 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 8.7 mt -106.55 125.02 62.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.421 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 67.0 m -83.96 106.37 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.06 93.62 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.61 80.78 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.441 HD11 ' N ' ' A' ' 70' ' ' ILE . 4.8 mm -61.67 116.37 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PRO . 33.3 mm-40 -63.94 -64.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -122.22 110.53 32.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.6 Cg_endo -69.74 -175.9 11.7 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.368 -0.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -102.17 94.25 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG23 ' CE2' ' A' ' 142' ' ' PHE . 13.7 m -144.04 -177.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HG3' ' CG2' ' A' ' 67' ' ' THR . 15.0 ttpp -127.41 139.42 52.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.79 108.98 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 0.2 OUTLIER -74.08 112.02 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 94' ' ' LEU . 13.3 tp -101.91 120.92 41.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -95.38 111.42 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.519 HG12 ' CZ ' ' A' ' 64' ' ' PHE . 1.5 p -103.13 145.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.433 HG23 ' CG ' ' A' ' 63' ' ' GLU . 36.9 m -139.81 108.32 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.23 98.96 29.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.578 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -77.05 -8.73 57.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 41.9 m -89.36 -63.18 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.78 148.57 0.15 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.758 . . . . 0.0 110.924 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.81 -24.35 8.63 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.326 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.8 m-85 -34.3 -43.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.5 tt -102.04 154.64 18.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.58 107.03 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 93' ' ' GLN . 4.2 pp -61.32 178.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.461 ' N ' HD11 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -123.29 138.27 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 79' ' ' LEU . 7.0 mt -137.82 144.95 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -144.35 122.71 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.24 128.88 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -137.77 142.18 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.3 t -140.61 123.7 16.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.6 t -43.66 -41.24 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.58 -45.84 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.562 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 24.0 mt -56.48 179.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.4 -179.13 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -68.25 -51.43 45.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -57.01 -50.72 71.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 26.0 mt-30 -62.4 -53.79 49.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -43.26 -55.18 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mt -47.47 -64.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.5 mt -45.2 -47.0 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.09 -69.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -47.29 -58.83 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -41.32 -54.3 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.69 75.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.22 -55.92 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -38.42 -57.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 m -57.99 -49.24 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.529 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 60.3 t80 -53.57 -35.62 60.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.6 mm -83.61 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.66 -9.07 86.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -78.58 -40.85 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -45.22 158.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 158.75 31.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.52 -32.5 2.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 10.1 pt-20 -103.61 168.54 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.63 152.89 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.74 -37.48 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.9 p -52.09 -44.39 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 42.1 t -54.39 -28.94 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.34 10.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.85 -39.72 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.45 -49.99 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.529 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 75.6 t90 -48.41 -51.61 25.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -55.09 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.65 -49.69 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.74 -27.43 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -111.6 50.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.7 t -117.03 -52.78 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 143' ' ' LEU . . . -54.46 -53.19 57.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 139' ' ' ALA . 49.0 m -35.67 -49.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.489 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 67.1 m-85 -77.23 -48.2 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.562 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 15.1 m-85 -65.9 -68.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 139' ' ' ALA . 10.6 mt 41.47 53.19 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -67.2 122.81 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 146' ' ' LYS . 6.8 tpt180 -77.48 124.73 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 145' ' ' ARG . 3.4 mmmp? 34.56 45.96 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 149' ' ' SER . 0.8 OUTLIER -58.96 107.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 85.9 t -76.67 88.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.449 ' HB2' ' CD1' ' A' ' 147' ' ' LEU . 8.5 t -146.73 133.59 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.78 171.48 22.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.79 5.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -99.76 40.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 54.3 p -67.21 111.43 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -49.92 -49.6 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -139.5 116.14 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.09 142.08 3.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -144.89 160.99 40.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -163.2 173.96 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.87 110.02 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -73.06 -44.98 59.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -94.27 92.98 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 167.05 15.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' VAL . 34.0 t -106.33 136.21 46.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 16' ' ' LEU . 46.7 t -37.27 -44.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -38.19 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -54.24 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -52.91 -66.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 47' ' ' ILE . 13.3 mt -43.02 -49.27 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.07 -45.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -69.78 -42.89 73.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 62' ' ' ILE . 3.5 mp0 -52.75 -17.9 1.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 mt -91.5 -57.78 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 23' ' ' MET . 3.8 pt-20 -66.23 -30.13 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.18 -33.62 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.454 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 6.4 mtt -71.56 -38.54 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 mt -71.46 -45.17 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.09 -49.42 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -50.95 -38.36 50.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 mtm -72.64 -34.31 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -116.22 75.61 6.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.31 33.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.52 110.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -60.36 105.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -17.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.75 -57.74 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.487 HG13 ' CD2' ' A' ' 64' ' ' PHE . 52.3 t -93.6 118.41 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 112.43 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.19 108.32 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -45.29 -23.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -167.61 114.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.53 -13.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 57.9 m-80 -74.03 -12.82 60.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -29.24 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.3 mt -86.33 -39.58 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASN . 94.5 m -64.9 -60.93 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 77.0 m-20 -36.43 -38.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 16' ' ' LEU . 54.8 mt -64.1 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ILE . 52.8 mttt -37.33 -33.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -71.06 -49.32 45.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 1.5 t80 -65.95 -46.5 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -41.62 -32.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.77 -30.23 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 107.07 23.1 7.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -100.85 24.36 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.51 132.11 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -82.85 -23.8 33.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.13 144.92 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -57.42 117.44 18.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 166.22 28.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.85 32.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HE3' ' CG2' ' A' ' 82' ' ' THR . 12.9 pttm -93.75 -176.99 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.53 93.33 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.07 124.54 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CZ ' HG13 ' A' ' 81' ' ' VAL . 23.3 p90 -152.89 178.97 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.05 131.05 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 43.1 mt -106.84 129.98 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.9 m -86.76 116.68 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.23 98.47 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.02 74.9 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . 42.1 mm -45.58 104.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ILE . 12.5 mt-10 -37.05 -56.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.6 tt0 -149.74 125.76 5.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.72 157.53 91.84 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.361 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -72.95 97.05 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.04 174.54 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -120.47 133.53 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.6 mt -133.94 115.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.06 113.26 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.6 tp -99.41 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -84.39 103.2 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -98.73 141.7 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.438 ' CG2' ' HE3' ' A' ' 61' ' ' LYS . 10.2 m -141.15 108.25 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.15 103.69 39.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.28 46.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.538 ' CE1' HD13 ' A' ' 58' ' ' LEU . 3.0 m170 -49.42 -18.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' TYR . 50.1 m -83.02 -56.31 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -36.46 148.57 0.17 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.77 8.4 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.382 -0.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 33.8 m-85 -33.33 -42.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 91' ' ' ALA . 8.1 tt -99.92 156.97 16.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.555 ' N ' ' CD2' ' A' ' 90' ' ' LEU . . . -77.61 105.34 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.5 pp -56.35 -179.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.463 ' N ' HD12 ' A' ' 92' ' ' LEU . 39.6 tt0 -126.29 115.3 19.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mt -113.21 148.28 35.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -151.29 108.88 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.48 132.03 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.535 ' CB ' ' NE2' ' A' ' 106' ' ' GLN . 6.7 ptm180 -145.83 138.08 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.7 p -139.27 146.17 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -49.17 -42.39 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.83 145.34 55.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.69 172.45 6.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.75 -63.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -51.05 -58.33 6.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 25.5 mm100 -46.24 -53.84 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.535 ' NE2' ' CB ' ' A' ' 97' ' ' ARG . 32.3 mt-30 -47.34 -56.94 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -38.6 -46.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.05 -47.42 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.28 -58.01 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -47.13 -67.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -48.27 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.55 -39.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.462 HD12 ' CE3' ' A' ' 133' ' ' TRP . 28.5 tp -73.9 -64.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.2 p -42.63 -41.48 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 t -70.7 -40.55 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 37.5 t80 -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.54 -33.73 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -52.14 -19.82 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -71.38 -41.06 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.4 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -100.68 155.72 36.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.0 Cg_endo -69.73 104.1 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.03 -39.35 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -101.13 153.21 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.51 154.96 27.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.1 m -127.55 -36.02 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -57.13 -27.17 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 13.6 p -64.94 -32.21 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.45 -45.82 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.89 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.5 mt -54.21 -69.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -49.47 -56.13 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.462 ' CE3' HD12 ' A' ' 113' ' ' LEU . 82.1 t90 -43.43 -46.58 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 135' ' ' GLN . 4.2 mt -60.0 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 134' ' ' LEU . 71.4 mt-30 -34.63 -55.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.14 -40.59 86.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 134' ' ' LEU . 66.0 m-80 -93.44 48.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.2 t -123.33 -54.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.57 80.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 m -59.02 -26.28 64.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 18.7 m-85 -84.56 -42.84 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 143' ' ' LEU . 6.0 m-85 -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 142' ' ' PHE . 50.2 mt -35.47 105.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -122.22 155.6 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 2.2 tmt_? -95.08 55.21 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 145' ' ' ARG . 0.0 OUTLIER -151.88 156.82 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.4 tp -144.84 138.43 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.68 176.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.6 m -161.74 137.6 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -129.38 146.62 17.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 178.35 4.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.0 t -146.44 162.89 37.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 18.0 m -90.96 172.23 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -74.54 118.8 17.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -85.84 86.62 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.77 -93.68 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -131.35 114.31 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -46.08 -59.25 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.95 37.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 mmt -116.07 -47.82 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 148.13 26.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.54 159.77 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -110.75 136.37 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 16' ' ' LEU . 25.5 t -36.86 -36.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -44.04 -53.7 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' GLN . 16.6 mt-10 -52.93 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' GLU . 56.2 p -36.61 -55.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 HD11 ' CG1' ' A' ' 12' ' ' VAL . 24.0 mt -64.76 -34.22 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -53.41 -43.27 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.0 mt -74.83 -12.9 60.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -83.99 -26.33 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD11 ' CD ' ' A' ' 48' ' ' LYS . 31.5 mt -84.46 -31.91 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 22' ' ' GLU . 1.7 pp -77.12 -41.88 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.464 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -53.61 -38.56 64.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.42 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 89.6 mmm -48.37 -43.95 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.53 -47.65 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.447 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 8.0 mtt -59.54 -47.19 86.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 30' ' ' PHE . 7.1 mt -59.71 -46.27 89.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 23' ' ' MET . 27.9 m-85 -61.95 -33.53 74.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -68.27 -43.91 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtm -65.13 -9.79 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 39.1 m-85 -122.1 94.71 47.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -43.51 2.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.288 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.01 124.06 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 20.8 mp0 -76.11 75.89 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 52.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 21.4 mt-10 -117.67 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 t -68.68 119.76 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -104.47 101.8 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -91.79 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.14 -31.47 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -140.9 115.98 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.88 -15.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -102.42 7.92 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.8 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.46 -48.57 60.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.459 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 11.4 m -59.63 -43.36 93.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -46.05 -26.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 16' ' ' LEU . 15.5 mt -84.79 -29.3 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' CD ' HD11 ' A' ' 20' ' ' LEU . 9.2 mmmm -57.33 -39.69 76.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 18.0 mtp85 -68.65 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.65 -45.63 68.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.14 -37.04 61.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' ARG . 11.9 pt-20 -81.3 -24.79 36.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' THR . . . 101.27 -32.65 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 2.7 t -36.05 -38.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -66.04 146.74 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 57' ' ' ALA . 1.1 pm0 -110.38 -39.79 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 56' ' ' GLU . . . -102.25 139.95 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -57.05 126.45 73.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.25 54.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.54 5.74 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -43.24 156.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.5 mt -77.68 95.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.5 ' OE2' ' CG2' ' A' ' 82' ' ' THR . 3.0 tp10 -118.09 129.32 55.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CZ ' HG12 ' A' ' 81' ' ' VAL . 5.2 p90 -160.1 173.61 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -122.38 127.67 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 53.3 mt -106.52 124.9 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -83.98 114.29 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -81.48 96.95 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.509 ' NE2' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -75.66 69.81 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.5 mm -47.36 136.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 12.5 pt-20 -74.87 -50.65 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 13.7 tt0 -151.43 122.44 3.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.3 Cg_endo -69.77 144.07 75.64 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.322 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.1 82.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.54 171.2 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -116.15 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.4 mt -140.3 117.65 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.95 118.04 21.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 tp -112.14 105.74 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -80.75 111.84 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG12 ' CZ ' ' A' ' 64' ' ' PHE . 2.5 p -103.44 121.03 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.5 ' CG2' ' OE2' ' A' ' 63' ' ' GLU . 2.7 m -119.25 114.19 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 110.47 49.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -169.16 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.597 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -84.09 7.12 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' TYR . 13.3 m -106.89 -58.3 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.82 149.92 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.75 -8.29 10.41 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.318 -0.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.3 m-30 -34.33 -50.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 1.3 pp -104.85 -175.36 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.424 ' N ' HD11 ' A' ' 90' ' ' LEU . . . -95.58 102.68 14.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.493 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.6 pp -50.12 171.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.16 116.01 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 92' ' ' LEU . 6.3 mt -114.83 153.9 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -149.32 109.47 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.52 116.4 4.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -144.39 147.25 33.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 p -139.31 140.99 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 t -47.15 -38.72 12.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.81 -56.54 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.2 mt -59.02 140.9 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -87.61 164.05 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -48.46 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -48.62 -39.08 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -65.25 -49.46 69.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.6 -49.83 45.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.23 -34.83 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.25 -43.19 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.449 HD12 ' CE1' ' A' ' 141' ' ' TYR . 5.5 tp -67.81 -59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -49.27 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -39.6 -47.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.05 96.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 114' ' ' THR . 7.3 tp -69.68 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LEU . 32.2 p -35.26 -55.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -63.77 -45.72 88.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.431 ' CZ ' ' CD1' ' A' ' 133' ' ' TRP . 56.9 t80 -51.15 -35.98 38.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.4 mm -81.68 -32.36 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.4 -14.3 56.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 71.8 p -81.82 -37.57 26.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 129' ' ' ALA . 13.1 m-85 -46.52 147.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.38 154.93 46.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.59 57.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.58 -37.85 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 11.0 pt-20 -100.62 170.79 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.1 mt -79.93 155.99 27.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 m -126.2 -48.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.3 p -44.63 -41.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 30.6 p -55.69 -37.46 68.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 120' ' ' PHE . . . -77.22 -49.79 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -37.96 -44.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.41 HG22 ' CD1' ' A' ' 68' ' ' LEU . 59.8 mt -57.73 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -41.76 -52.9 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.431 ' CD1' ' CZ ' ' A' ' 116' ' ' TYR . 76.5 t90 -50.22 -49.21 53.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 137' ' ' ASN . 4.3 mt -56.47 -61.63 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 134' ' ' LEU . 27.3 mt-30 -35.11 -56.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -69.03 -36.01 77.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' LEU . 71.4 m-80 -102.82 53.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -133.54 -54.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 139' ' ' ALA . 3.7 m -36.99 -47.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.449 ' CE1' HD12 ' A' ' 109' ' ' LEU . 38.1 m-85 -68.56 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 145' ' ' ARG . 18.9 m-85 -43.29 -52.93 5.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 37.2 mt -40.29 111.46 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.4 38.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 146' ' ' LYS . 28.6 mmt180 -152.06 164.69 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 145' ' ' ARG . 64.6 mttt -34.5 121.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER -167.07 163.43 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.497 ' N ' ' CD2' ' A' ' 147' ' ' LEU . 58.2 t -138.36 135.03 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 33.5 p -102.93 -62.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -173.99 84.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.302 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -89.08 147.98 23.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 50.5 m -93.55 136.2 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -42.37 -58.62 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -147.54 116.76 6.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.61 85.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -131.79 166.13 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p -83.02 92.01 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.54 178.9 18.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -105.68 -54.44 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -75.15 105.82 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 167.56 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -100.41 133.27 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' LYS . 98.1 t -38.24 -39.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' VAL . 42.0 mttp -34.75 -65.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' SER . 61.1 mm-40 -53.24 -54.2 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 p -36.13 -56.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -75.71 -34.2 60.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -53.34 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.09 -14.93 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 15' ' ' SER . 34.2 mt-30 -86.49 -17.87 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.13 -37.08 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' CD1' ' CE ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -75.39 -37.52 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' OE1' ' CE ' ' A' ' 83' ' ' MET . 2.0 pp20? -64.86 -18.63 65.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mmm -73.88 -41.77 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.44 -48.79 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.504 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 8.1 ptp -55.92 -29.96 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.74 -49.92 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.2 m-85 -50.84 -43.46 59.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m -54.59 -42.59 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtm -60.66 -47.92 84.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' PHE . 32.7 m-85 -101.79 112.85 65.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.61 6.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -81.75 102.87 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -37.46 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -39.32 -48.03 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.85 -65.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.8 t -78.97 100.72 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -96.15 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mt -99.02 124.06 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.56 -34.7 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.02 128.33 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.21 -16.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -85.57 6.87 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.89 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.94 -40.83 75.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -63.21 -60.73 3.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -41.88 -36.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 93.4 mt -65.31 -51.22 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -53.65 -23.83 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -76.79 -43.89 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 4.0 t80 -61.12 -29.24 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.9 -53.32 58.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CD ' HG22 ' A' ' 54' ' ' THR . 10.7 pt-20 -64.02 -15.48 59.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.25 21.56 54.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.419 HG22 ' CD ' ' A' ' 52' ' ' GLU . 5.2 t -95.24 23.82 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -120.91 148.87 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -101.39 -39.61 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.57 157.38 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.526 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -63.98 126.33 89.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.703 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.471 ' N ' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.72 161.94 43.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 138.37 37.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -71.34 158.59 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 89.1 mt -82.96 85.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.33 124.08 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.506 ' CZ ' HG11 ' A' ' 81' ' ' VAL . 19.3 p90 -151.61 -178.44 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.1 t -131.5 130.6 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.6 mt -107.79 125.62 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.0 m -86.79 97.38 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.3 mt -78.65 139.66 38.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.56 118.72 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLU . 33.4 mm -87.09 106.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' ILE . 13.2 pt-20 -33.89 -46.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.1 tt0 -160.05 122.79 1.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.669 0.747 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.8 148.84 87.64 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.386 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.29 83.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -126.22 167.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.35 137.07 46.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.2 mt -131.46 112.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -77.34 102.57 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.3 tp -90.18 97.54 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -75.48 103.25 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -97.95 143.97 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 m -140.05 104.99 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 2.1 mtt -101.26 103.24 25.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.827 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.526 ' CE1' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -85.05 11.56 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 17.5 m -111.08 -60.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.66 149.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.926 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.74 -22.77 9.42 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.299 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.424 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 45.0 m-85 -35.74 -47.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 4.7 tt -97.59 150.46 21.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.93 95.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 pp -51.95 175.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -118.48 143.94 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 HD21 ' CG2' ' A' ' 81' ' ' VAL . 7.3 mt -137.48 155.68 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.69 110.74 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.39 114.05 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' ' NE2' ' A' ' 106' ' ' GLN . 3.2 mmm180 -121.81 134.41 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 p -140.93 165.92 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -71.83 -35.89 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -66.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.1 mt -40.91 147.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.02 -176.38 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -56.19 -59.0 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' GLN . 11.5 t-80 -55.88 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' HIS . 31.0 mt-30 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' NE2' ' HD3' ' A' ' 97' ' ' ARG . 17.5 mt-30 -49.55 -61.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -38.91 -45.44 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.64 -46.74 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.12 -64.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -45.01 -62.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -41.2 -54.24 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.58 -45.91 92.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' THR . 8.7 tp -65.18 -64.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.96 0.409 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . 21.0 p -37.37 -57.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.0 t -59.93 -45.88 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 31.6 t80 -50.66 -34.22 25.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.3 mm -82.64 -25.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.47 -17.13 61.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 78.6 p -78.14 -46.18 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.3 142.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.59 154.85 73.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.424 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.2 Cg_endo -69.76 153.26 69.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.34 -40.95 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 13.0 pt-20 -92.66 163.39 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.43 153.4 37.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 70.9 m -128.37 -40.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.19 -30.32 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 19.0 t -69.45 -29.02 66.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.37 -43.74 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.03 -50.07 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 60.7 mt -44.0 -57.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.13 -59.04 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.4 t90 -39.82 -43.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 135' ' ' GLN . 7.3 mt -65.4 -63.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 134' ' ' LEU . 30.7 mt-30 -35.77 -42.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.57 -44.17 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -92.09 50.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -127.73 -62.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.47 35.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.0 m -56.88 -27.36 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.53 -40.23 17.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' LEU . 35.2 m-85 -66.35 -51.67 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 142' ' ' PHE . 17.4 mt -36.8 104.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -158.0 -177.54 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -88.37 110.04 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -100.1 106.28 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.86 138.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.9 p -145.91 150.88 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.4 m -155.24 175.25 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.93 93.42 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 141.35 44.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.7 m -155.85 -176.0 5.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -136.73 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -111.9 164.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -144.57 157.85 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.85 -137.69 20.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p 37.62 43.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.4 p -111.98 121.72 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.26 -115.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -53.06 -60.01 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -77.56 168.22 20.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.79 178.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t -87.01 131.74 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.4 t -44.76 -37.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -41.28 -52.2 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -57.03 -64.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.05 -35.29 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -47.68 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 18' ' ' LEU . 9.9 mp -67.0 -34.44 77.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 87' ' ' TYR . 1.8 mp0 -63.78 -18.9 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -87.16 -54.62 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' CD1' ' CE ' ' A' ' 25' ' ' MET . 1.0 OUTLIER -54.66 -36.51 64.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.444 ' C ' ' HG2' ' A' ' 25' ' ' MET . 9.2 pt-20 -61.94 -18.88 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mmm -77.95 -65.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -45.87 -41.08 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.466 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 9.9 ptp -65.22 -38.56 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 25' ' ' MET . 20.2 mt -71.32 -41.35 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -54.58 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.1 m -67.69 -22.55 65.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.6 mtm -77.96 -27.58 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -126.48 72.65 73.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.44 30.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' GLY . 6.6 m-20 -71.91 117.88 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.1 mt-30 35.12 33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 37.06 72.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -39.71 -33.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.542 ' CG1' ' CD2' ' A' ' 64' ' ' PHE . 14.4 t -75.16 108.81 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -100.72 114.03 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.8 109.24 21.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -56.47 -28.3 59.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.59 93.06 3.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -58.94 -16.6 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -98.39 20.42 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.91 -42.51 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.94 -45.11 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -59.63 -57.31 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -43.51 -44.56 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.8 -62.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -43.73 -41.51 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HB3' ' CG2' ' A' ' 54' ' ' THR . 36.3 mtp180 -61.25 -38.49 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -68.92 -32.55 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.7 -38.49 85.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' CD ' HG23 ' A' ' 54' ' ' THR . 11.3 pt-20 -83.22 -3.73 57.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.88 25.6 66.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 5.6 t -98.1 22.2 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.41 130.48 47.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.54 -29.22 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 166.67 11.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.554 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -80.83 127.7 74.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 155.97 64.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.49 21.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -49.84 177.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.3 mt -102.14 94.41 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.185 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -115.01 133.37 56.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE2' HG13 ' A' ' 81' ' ' VAL . 30.4 p90 -160.67 -179.48 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.9 t -125.82 129.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.55 128.0 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -86.79 107.25 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -79.24 109.54 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -84.56 78.61 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.87 105.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.36 -41.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -163.92 131.99 2.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.79 128.6 12.87 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.322 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 ttmt -46.9 103.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.2 m -150.1 173.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -118.36 119.86 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.9 mt -119.17 118.9 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.53 109.01 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 tp -95.02 121.63 36.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -93.02 97.96 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.546 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.8 p -95.75 136.13 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -138.38 110.32 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.69 110.5 49.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.554 ' CE1' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -80.13 -4.16 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' TYR . 2.6 m -95.66 -61.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.87 149.91 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.68 -3.11 7.39 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.349 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.7 m-30 -38.4 -50.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 1.9 pp -104.82 -175.02 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' HD13 ' A' ' 90' ' ' LEU . . . -92.15 106.93 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.517 HD22 ' CE2' ' A' ' 87' ' ' TYR . 4.5 pp -58.22 167.89 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -110.63 128.11 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -123.54 151.68 42.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -138.67 112.38 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.88 110.98 3.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.74 139.17 43.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 t -139.91 131.42 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 p -49.92 -28.27 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -81.64 -39.09 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.87 171.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -122.0 176.11 5.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.37 -50.0 71.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -61.06 -47.88 84.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.53 -54.66 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -46.69 -56.0 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.14 -40.23 6.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.2 mt -72.57 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.49 -57.9 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.502 ' ND2' ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER -52.19 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -45.47 -62.18 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.67 -33.48 9.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.535 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 116' ' ' TYR . 7.4 tp -79.25 -67.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.8 p -38.11 -52.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 -39.2 93.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 t80 -61.51 -43.0 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.8 mm -75.35 -6.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.72 1.06 88.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 p -100.02 2.17 43.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.331 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.18 160.02 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.47 156.55 39.33 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.82 15.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.48 -35.69 2.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.1 pt-20 -108.26 162.25 14.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -74.15 154.79 38.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.88 -39.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.5 p -51.77 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 23.9 p -56.41 -32.19 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.87 -52.12 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.04 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.5 mt -52.24 -57.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.49 -60.3 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.502 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 71.5 t90 -38.55 -53.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 137' ' ' ASN . 5.7 mt -52.74 -58.12 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 134' ' ' LEU . 65.9 mt-30 -37.28 -58.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -71.39 -26.83 62.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' CE2' ' A' ' 133' ' ' TRP . 69.6 m-80 -102.04 50.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -132.94 -62.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -39.79 -39.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.1 t -57.92 -43.6 86.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -75.21 -4.34 38.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -110.8 5.4 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 27.3 mt -115.59 -174.31 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -50.35 -177.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 71.78 41.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.71 120.16 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 147' ' ' LEU . 4.5 mm? -60.86 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 3.6 p -161.21 166.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.4 t -135.18 153.23 52.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.61 141.26 6.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -179.79 3.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -161.17 117.42 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 t -122.92 166.58 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.466 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -101.75 42.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 p -146.16 174.84 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -153.32 82.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.7 p 36.88 41.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -132.06 126.08 32.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.0 179.9 45.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.68 178.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -65.39 -68.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.49 174.26 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 t -83.31 123.61 29.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -42.45 -28.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -48.36 -47.83 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' GLN . 5.5 mp0 -63.99 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 25.7 p -35.88 -46.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 mt -76.82 -38.58 53.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 1.5 tp60 -61.71 -58.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -52.87 -32.44 44.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 15' ' ' SER . 38.0 mt-30 -61.45 -22.52 65.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.8 mt -83.69 -47.42 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.76 -32.06 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 125' ' ' LEU . 4.0 pt-20 -78.06 -32.85 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.85 -58.7 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.59 -35.92 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.433 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 19.8 mtm -69.63 -38.68 77.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.83 -45.33 86.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -54.62 -51.39 65.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 t -48.76 -52.31 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.1 mtm -56.34 -38.68 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CZ ' HG23 ' A' ' 66' ' ' ILE . 56.6 m-85 -109.95 80.9 1.88 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.69 6.11 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -67.12 128.37 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.49 165.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.36 -47.61 3.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE1' ' CA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -40.76 -62.02 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -99.24 100.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -96.35 109.44 21.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.24 111.94 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -51.52 -29.02 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.28 120.92 18.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.0 m -81.34 -16.53 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.01 8.09 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.07 -48.1 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -47.16 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.6 m -50.64 -51.55 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ARG . 86.7 m-20 -54.04 -54.42 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.5 mt -40.36 -50.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.48 -36.53 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 46' ' ' ASN . 30.3 mtp180 -70.14 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -91.98 -37.23 12.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.99 -39.37 93.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' ARG . . . 109.95 -36.92 4.01 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 53' ' ' GLY . 5.5 t -34.65 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 24.4 ttt-85 -117.34 134.07 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -103.09 -54.0 2.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.12 116.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -44.65 120.11 3.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 156.16 63.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 129.03 16.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -57.95 162.14 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.0 mt -89.93 105.6 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.47 127.23 46.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.8 p90 -153.59 178.16 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.26 126.33 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG23 ' CZ ' ' A' ' 30' ' ' PHE . 63.6 mt -109.09 125.01 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -84.73 124.66 31.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.54 95.44 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.04 77.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.8 124.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.42 -53.14 61.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 7.7 tt0 -150.97 122.93 3.97 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.5 Cg_endo -69.75 154.58 93.3 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.347 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -75.96 90.92 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.445 HG22 ' CZ ' ' A' ' 142' ' ' PHE . 27.3 m -135.38 176.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -119.2 137.07 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.81 108.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.73 108.57 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 94' ' ' LEU . 25.6 tp -97.19 115.32 27.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.38 100.8 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG12 ' CZ ' ' A' ' 64' ' ' PHE . 2.0 p -93.47 141.47 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -140.86 115.75 9.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.23 98.75 44.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.703 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 177.33 5.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.557 ' CE1' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -63.77 -7.59 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.453 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 58.7 m -91.88 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.71 149.92 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.3 Cg_endo -69.7 -25.56 7.91 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.318 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' PRO . 47.1 m-85 -33.85 -44.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 5.1 tt -101.83 148.92 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.96 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.73 177.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -117.02 130.42 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 79' ' ' LEU . 10.0 mt -133.24 133.5 42.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.32 115.62 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.72 112.87 2.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -122.38 137.52 54.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -138.12 127.58 24.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -45.91 -49.97 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -53.51 -47.75 69.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 mt -56.14 175.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.14 -178.42 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -73.09 -48.07 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.424 ' HA ' ' CD2' ' A' ' 107' ' ' LEU . 35.3 t60 -74.02 -25.05 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.54 -38.11 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -69.03 -54.15 16.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 108' ' ' LEU . 1.3 pp -45.1 -38.38 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 107' ' ' LEU . 33.0 mt -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.55 -63.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -43.12 -61.76 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -52.05 -45.73 64.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.68 72.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.421 HD12 ' CE3' ' A' ' 133' ' ' TRP . 7.5 tp -79.26 -48.99 13.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.4 m -68.4 -37.52 80.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -71.57 -38.31 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.7 mm -75.02 -28.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.36 -15.94 70.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.53 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.0 p -73.52 -46.62 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 111.119 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -42.19 152.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.36 156.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.7 9.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.47 -19.69 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -118.87 173.3 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.415 ' CD1' ' HB3' ' A' ' 22' ' ' GLU . 38.6 mt -80.07 154.73 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 62.0 m -124.32 -46.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 128' ' ' CYS . 12.0 p -46.81 -32.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.414 ' N ' HG11 ' A' ' 127' ' ' VAL . 4.2 t -61.41 -35.43 77.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.85 -51.81 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.16 -42.57 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.43 -70.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.85 -53.49 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.421 ' CE3' HD12 ' A' ' 113' ' ' LEU . 87.4 t90 -40.65 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 137' ' ' ASN . 14.3 mt -40.21 -61.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -38.53 -64.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -59.11 -24.72 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' LEU . 25.2 m-80 -113.48 53.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -124.88 -51.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.62 82.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.0 m -43.65 -34.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -86.25 -52.46 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.445 ' CZ ' HG22 ' A' ' 75' ' ' VAL . 56.3 m-85 -57.97 -74.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 14.1 mt 41.22 42.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -156.6 163.71 39.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . 20.8 ttm105 -156.19 149.98 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -141.23 -175.27 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -121.71 160.8 23.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.92 170.92 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 10.2 t -147.21 175.4 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 141.99 146.94 4.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.13 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.1 p -158.06 177.18 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.1 m -140.84 176.31 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.43 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -147.07 168.36 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -130.49 168.66 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -81.68 -51.02 4.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.9 p 35.87 42.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -55.42 141.53 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.86 -125.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 mtt -59.03 169.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -72.5 -42.04 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.91 -175.53 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -133.34 145.9 50.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' HB ' ' CZ ' ' A' ' 50' ' ' TYR . 14.0 t -47.45 -20.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -50.19 -62.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -64.05 -50.56 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.8 m -47.99 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' CD1' HG11 ' A' ' 12' ' ' VAL . 12.1 mt -55.06 -36.64 65.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -33.74 66.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 HD13 ' CD ' ' A' ' 88' ' ' PRO . 10.8 mt -77.54 -25.29 50.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 84' ' ' PRO . 69.6 mt-30 -76.59 -20.96 56.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 mt -85.39 -41.42 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -74.75 -38.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' N ' HD11 ' A' ' 21' ' ' LEU . 1.1 pp20? -63.56 -28.54 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.96 -39.85 69.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.99 -53.79 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.459 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 6.1 mtt -47.93 -35.39 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD12 ' CD ' ' A' ' 22' ' ' GLU . 4.9 mt -71.81 -51.09 24.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -53.88 -40.48 66.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.7 -44.97 95.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.7 mtm -64.8 -19.81 66.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -122.13 81.16 44.0 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -40.45 5.32 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.455 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -49.38 135.89 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.57 85.94 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.06 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -111.41 -63.6 1.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -85.33 127.76 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -118.52 110.11 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.4 mt -94.76 99.58 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -40.31 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -154.39 116.26 4.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 42' ' ' ASN . 27.2 m -69.22 -44.87 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.452 ' N ' HG22 ' A' ' 41' ' ' VAL . 1.7 m-80 -57.32 -12.7 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.0 -45.26 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.94 -45.33 94.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ASN . 86.8 m -58.99 -61.61 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' THR . 18.0 m-80 -37.71 -33.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.53 -49.25 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -46.56 -41.69 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.68 -30.78 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.467 ' CZ ' ' HB ' ' A' ' 12' ' ' VAL . 9.4 t80 -65.56 -29.3 69.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.14 -9.44 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -107.02 -30.08 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.76 -9.3 70.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 t -69.13 -1.49 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 111.194 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' CD ' ' HD3' ' A' ' 59' ' ' PRO . 8.8 ttp-105 -98.55 151.72 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 55' ' ' ARG . 39.0 mt-10 -126.14 -26.48 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LEU . . . -104.9 114.29 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.58 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -37.41 127.36 0.87 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.7 153.21 69.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.93 143.24 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.7 mt -68.24 108.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -128.12 126.86 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -156.33 165.92 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -114.58 126.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 83.6 mt -106.37 125.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 m -85.16 99.47 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 131' ' ' ILE . 4.5 mm? -66.84 93.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -75.39 79.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.42 ' CG1' HD13 ' A' ' 77' ' ' ILE . 44.7 mm -50.51 138.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.35 -43.91 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 9.5 tt0 -162.08 121.36 1.43 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.82 148.18 86.34 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.31 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -73.41 93.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -136.37 172.24 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -107.64 135.74 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.42 HD13 ' CG1' ' A' ' 70' ' ' ILE . 70.1 mt -134.55 99.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -64.32 114.26 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 94' ' ' LEU . 4.6 tp -110.0 96.82 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -73.19 99.02 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 ' CB ' HD21 ' A' ' 94' ' ' LEU . 7.9 p -93.63 151.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -142.19 120.48 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 29.9 mtt -110.49 98.5 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.409 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 53.6 Cg_endo -69.82 -178.37 2.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.58 ' CE1' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -76.31 -3.52 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' TYR . 29.6 m -96.58 -62.15 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.31 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.942 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.79 -23.58 9.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 -0.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.444 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 43.6 m-85 -35.28 -46.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 4.8 tt -99.22 154.58 18.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.48 103.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.6 pp -57.2 177.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.461 ' N ' HD12 ' A' ' 92' ' ' LEU . 15.4 tt0 -119.75 125.73 49.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 81' ' ' VAL . 9.9 mt -127.26 137.1 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -140.52 110.97 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' H ' ' ND2' ' A' ' 110' ' ' ASN . . . -107.04 115.83 4.78 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -118.03 140.12 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.6 m -140.15 130.8 25.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -51.16 -36.71 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.76 -48.44 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.95 127.93 33.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.45 -179.2 6.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -47.51 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 105' ' ' GLN . 20.1 t60 -41.55 -55.05 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 104' ' ' HIS . 1.1 mp0 -36.68 -53.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 108' ' ' LEU . 31.3 mt-30 -65.0 -50.58 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp -39.95 -29.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.9 mt -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.44 -59.43 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 96' ' ' GLY . 24.0 m120 -58.83 -64.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -50.17 -55.17 16.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.89 -26.27 47.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.01 -59.99 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.5 p -38.64 -48.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -67.03 -48.1 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.461 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 43.8 t80 -51.64 -39.15 57.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 30.2 mm -75.41 -20.12 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.07 -15.64 78.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -78.88 -10.01 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.62 154.39 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.15 149.61 38.93 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.567 0.698 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.444 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.3 Cg_endo -69.76 112.0 2.96 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 -36.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 12.6 pt-20 -97.4 165.94 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.14 152.88 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 27.3 m -124.6 -41.79 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 128' ' ' CYS . 5.9 p -51.26 -30.16 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.414 ' N ' HG11 ' A' ' 127' ' ' VAL . 25.1 p -62.89 -29.13 70.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.57 -46.72 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.52 -37.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 68' ' ' LEU . 96.7 mt -61.49 -60.14 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.71 -51.52 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 74.3 t90 -47.01 -46.94 22.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 7.4 mt -58.64 -65.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -46.51 -45.57 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -54.68 -55.22 32.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' TYR . 1.7 m-80 -106.97 55.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -104.92 -57.6 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.93 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -54.64 -20.93 9.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 137' ' ' ASN . 16.5 m-85 -90.44 -49.9 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 143' ' ' LEU . 23.4 m-85 -54.35 -45.73 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 142' ' ' PHE . 34.1 mt -35.81 -51.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -62.87 105.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.62 -35.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp 46.35 48.33 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.5 tt -130.07 117.35 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.3 t -116.31 135.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 t -133.58 168.03 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -157.89 83.68 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 179.5 3.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 m -135.33 164.51 27.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 56.2 p -160.93 177.9 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -67.71 129.45 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -147.91 150.88 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.76 -104.42 2.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -156.22 111.3 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -85.26 152.35 23.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.7 -134.71 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -113.03 -56.03 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -56.89 124.53 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.36 163.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.7 m -76.08 139.09 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 t -59.88 -32.11 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -44.65 -32.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLN . 8.8 mm-40 -78.5 -67.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' GLU . 45.7 p -38.37 -46.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.77 -38.62 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -59.2 -38.2 79.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.75 -28.33 55.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' C ' ' HG2' ' A' ' 22' ' ' GLU . 46.2 mt-30 -68.39 -24.64 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.31 -53.87 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 1.3 pp -54.1 -40.2 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 23' ' ' MET . 7.6 pt-20 -56.71 -34.22 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.436 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 81.5 mmm -52.87 -43.01 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.39 -37.08 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.423 ' HE1' ' CD1' ' A' ' 21' ' ' LEU . 9.6 mtt -70.97 -38.61 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.64 -48.18 56.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -55.66 -48.7 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -54.73 -45.4 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 41.4 mtm -59.88 -37.97 80.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -108.67 80.73 1.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -31.01 21.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -70.21 108.36 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -47.25 140.65 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 -43.64 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -44.97 -63.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 57.4 t -93.2 116.31 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -118.19 112.0 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.7 mt -91.92 94.76 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -43.83 -33.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.91 90.29 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.23 -35.15 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -69.29 -12.19 61.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.84 63.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.0 mt -53.82 -40.45 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ASN . 98.2 m -68.3 -59.61 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' THR . 11.8 m-80 -36.46 -44.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.9 mt -57.26 -65.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -37.65 -41.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -59.14 -45.33 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' ILE . 31.5 t80 -70.19 -15.46 62.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.52 -41.76 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' CG ' HG22 ' A' ' 54' ' ' THR . 10.6 pt-20 -69.81 -20.14 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.98 23.25 20.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.433 HG22 ' CG ' ' A' ' 52' ' ' GLU . 8.3 t -101.38 -4.67 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -122.84 148.39 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.33 -34.25 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.65 128.41 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.558 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -52.84 116.21 8.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 166.77 26.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.65 69.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.46 174.73 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.9 mt -96.81 98.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -117.79 131.3 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -156.33 176.34 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.09 128.24 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.9 mt -107.24 126.62 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -88.41 121.11 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.12 101.08 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 77.21 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.6 mm -55.79 122.07 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.11 -44.28 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -167.85 133.47 1.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.75 131.77 20.27 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.37 0.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 8.9 ttmt -52.38 103.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.473 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 22.5 m -143.16 -176.92 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -123.99 137.01 54.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.44 117.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.99 113.38 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.448 HD13 ' CD2' ' A' ' 94' ' ' LEU . 22.3 tp -102.12 101.76 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -79.99 95.11 6.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.2 p -91.64 141.32 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -140.48 107.54 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.533 ' HB3' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -105.7 98.73 18.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 166.17 28.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.558 ' CE1' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -47.97 -23.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 61.1 m -75.47 -66.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.22 149.33 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.694 0.759 . . . . 0.0 110.944 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -25.06 8.25 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.307 0.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -34.16 -43.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.453 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.5 tt -100.63 147.58 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.422 ' C ' HD21 ' A' ' 90' ' ' LEU . . . -67.53 99.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 93' ' ' GLN . 4.0 pp -52.58 177.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.417 ' N ' HD13 ' A' ' 92' ' ' LEU . 32.9 tt0 -123.24 122.36 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 79' ' ' LEU . 3.9 mt -120.83 147.64 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -145.67 124.55 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.64 138.16 14.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -138.2 135.47 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.406 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 32.1 t -140.54 118.67 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -38.14 -42.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.92 -63.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 98' ' ' SER . 95.4 mt -39.92 130.68 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -92.85 160.95 14.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' ASP . 15.9 tpt180 -34.78 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -39.55 -50.26 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.32 -70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -39.55 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.96 -53.97 32.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 98.3 mt -59.74 -29.68 68.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.77 -46.74 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -69.43 -63.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -39.61 -46.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.48 91.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 5.9 tp -62.78 -57.01 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.3 p -40.89 -52.51 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.57 -50.41 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.407 ' CD1' ' CD1' ' A' ' 133' ' ' TRP . 61.0 t80 -51.92 -25.68 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 35.9 mm -87.38 -36.26 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.29 -19.7 53.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 120' ' ' PHE . 36.9 p -67.18 -52.65 38.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 119' ' ' THR . 12.2 m-85 -35.35 142.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.74 156.24 67.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.43 -50.69 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -86.87 162.23 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.2 mt -68.27 151.74 46.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.6 m -125.79 -36.4 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 128' ' ' CYS . 9.0 p -52.31 -36.69 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.418 ' N ' HG12 ' A' ' 127' ' ' VAL . 6.7 t -55.71 -34.2 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.8 -51.25 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.19 -40.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.78 -65.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.76 -56.91 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.538 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t90 -40.13 -62.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -46.19 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -44.34 -59.46 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.15 -44.05 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -117.19 59.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.4 t -107.4 -59.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -54.92 -45.59 74.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.7 t -41.11 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 m-85 -91.12 -49.46 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.473 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 29.9 m-85 -54.05 -46.15 71.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 63.3 mt -40.54 104.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -154.89 162.28 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -69.38 101.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -153.06 152.26 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.1 tt -143.0 130.69 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 99.2 t -124.1 108.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.6 m -72.93 170.76 14.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -179.1 145.55 6.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -174.25 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.3 t -116.87 159.19 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 67.5 m -86.77 -67.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -116.21 86.37 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -150.84 157.58 43.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.57 -87.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -70.41 138.5 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -87.3 11.59 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.9 -152.65 7.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ttt -87.32 81.82 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -125.46 101.47 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.87 122.19 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 73.1 m -66.86 131.53 46.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.2 t -36.35 -41.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' VAL . 45.5 mttt -36.25 -53.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.47 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -42.31 -55.6 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . 41.2 mt -57.44 -42.53 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.11 -59.88 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.26 -38.08 85.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -53.9 -23.04 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.16 -50.93 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.548 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -58.3 -29.61 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -71.53 -20.27 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' LEU . 87.5 mmm -78.02 -66.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -41.98 -33.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.47 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 14.5 ptp -76.94 -37.85 54.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 25' ' ' MET . 16.2 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.11 -39.32 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -73.87 -37.92 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.2 mtp -58.27 -39.8 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -106.29 94.86 10.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.49 37.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.41 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -50.62 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -108.06 -54.47 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' OE1' ' A' ' 35' ' ' GLU . . . -98.84 76.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -134.07 -48.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.403 . . . . 0.0 110.907 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 t -113.68 102.95 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -102.36 126.5 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.76 118.93 38.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.55 -29.88 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -167.18 109.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -53.98 -22.25 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 15.4 m-80 -60.37 -23.92 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.01 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.72 -39.03 87.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ILE . 92.5 m -61.7 -67.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 59' ' ' PRO . 14.2 m-20 -36.26 -32.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' THR . 48.8 mt -71.0 -58.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.25 -32.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HB3' ' CG2' ' A' ' 54' ' ' THR . 41.0 mtt180 -71.31 -53.97 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -52.62 -30.37 31.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.31 -42.42 91.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -30.08 25.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.78 26.46 8.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 5.8 t -92.92 -40.04 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 11.5 tpp180 -53.29 164.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 10.6 tp10 -109.4 -45.46 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.08 150.39 27.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -56.85 127.92 75.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 126.55 13.41 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -47.41 162.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.6 mt -88.1 87.3 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.55 129.99 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -159.83 -179.88 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.8 t -121.77 126.31 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.1 mt -106.57 132.7 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 68' ' ' LEU . 30.7 m -90.51 133.11 35.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 131' ' ' ILE . 4.4 mm? -108.58 103.41 12.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.66 95.7 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 73' ' ' PRO . 18.7 mm -71.88 116.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -51.47 -65.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tp10 -133.98 119.25 14.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 177.17 29.74 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.378 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -96.01 99.29 11.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 m -144.98 176.1 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -118.85 127.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.57 113.44 25.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 tp -104.32 103.96 13.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -74.68 120.75 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 p -115.89 140.71 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 106.73 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.4 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -106.88 103.21 46.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.78 -166.28 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -81.36 10.8 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.46 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 38.1 m -110.34 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.58 150.03 0.11 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.666 0.746 . . . . 0.0 110.908 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -24.65 8.46 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.342 -0.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 29.0 m-85 -34.41 -44.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.1 tt -99.91 148.91 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -68.62 102.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.546 HD21 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -57.23 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -125.97 116.45 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mt -118.53 148.91 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -147.73 121.86 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.24 118.24 5.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -136.74 135.42 38.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 t -137.08 154.45 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -60.46 -47.59 85.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.34 -55.47 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 142' ' ' PHE . 54.0 mt -45.66 137.89 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -95.53 175.15 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -48.3 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -46.89 -53.33 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -49.72 -55.73 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -49.36 -59.87 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.0 mt -47.57 -63.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.4 mt -47.69 -51.19 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.96 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -39.66 -56.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.26 -50.68 58.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.74 -64.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.2 p -37.94 -49.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 t -66.59 -48.92 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.474 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 29.5 t80 -49.18 -28.7 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.4 mm -88.97 -23.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.47 -22.25 69.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -72.07 -20.94 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -67.09 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.98 155.12 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.546 0.689 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.427 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.6 Cg_endo -69.72 119.67 6.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.49 -42.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.546 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.4 pt-20 -99.0 178.15 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.84 153.34 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 10.0 m -125.47 -42.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.86 -23.9 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.49 -38.6 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.81 -52.06 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -38.85 -37.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 68' ' ' LEU . 80.8 mt -60.74 -69.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -50.58 -42.9 56.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.474 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 89.2 t90 -55.16 -64.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 135' ' ' GLN . 10.5 mt -40.55 -56.2 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.4 mt-30 -34.43 -63.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.39 -45.73 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -83.95 49.41 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 m -131.98 -55.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.99 -38.61 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 t -62.92 -38.08 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -68.28 -54.98 13.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 143' ' ' LEU . 25.4 m-85 -51.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 142' ' ' PHE . 31.6 mt -34.35 105.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 145' ' ' ARG . 21.6 t-20 -162.38 133.68 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 144' ' ' ASN . 27.0 ttt180 -35.74 112.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -136.67 142.29 43.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -109.97 168.76 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 149' ' ' SER . 9.1 m -107.29 -3.78 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 148' ' ' VAL . 11.2 t 35.47 38.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 38.26 89.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 111.7 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.1 t -144.95 130.81 19.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 96.4 p -117.44 162.88 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.1 m -107.34 -44.88 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 93.9 p 38.09 42.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.49 -128.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 70.09 43.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -119.74 108.96 15.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.56 11.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -51.78 -45.5 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -109.99 132.06 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 157.33 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 129.68 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 92.7 t -38.12 -43.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' VAL . 83.8 mttt -34.67 -50.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.9 -68.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -40.09 -64.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 12' ' ' VAL . 77.9 mt -40.56 -43.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -52.86 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.56 -21.47 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.419 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . 73.8 mt-30 -82.35 -18.82 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -92.21 -27.1 17.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -81.27 -32.96 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' CD ' ' HA ' ' A' ' 19' ' ' GLN . 10.7 pt-20 -75.69 -33.78 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.6 mmm -60.63 -57.67 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.87 -29.93 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.8 mtm -78.16 -24.91 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.5 -46.71 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -51.62 -51.13 58.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -58.06 -36.67 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.3 mtm -67.6 -23.68 65.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -121.74 83.79 42.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -39.34 6.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -41.31 108.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.84 95.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.77 41.67 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -109.14 -56.18 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.4 t -94.45 116.93 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.566 ' CG ' ' HB ' ' A' ' 65' ' ' VAL . 11.1 ptpt -106.48 118.59 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 mt -103.67 125.8 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -62.31 -25.74 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -149.48 113.34 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.68 -19.63 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.1 m-80 -85.52 15.06 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.15 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.38 -45.94 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -58.18 -59.1 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 72.0 m-20 -39.76 -47.46 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 50' ' ' TYR . 67.4 mt -54.2 -63.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -38.02 -31.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 57.2 mtp180 -77.36 -42.61 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' ILE . 40.0 t80 -66.13 -12.46 55.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.6 mt -86.85 -46.44 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.24 -24.91 67.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.79 -23.75 21.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 t -51.81 -31.11 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.149 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -110.14 122.53 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.78 -39.23 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 133.95 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -62.11 123.43 77.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.15 57.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.81 22.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -53.51 160.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.0 mt -91.06 91.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.93 55.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -152.56 176.43 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.566 ' HB ' ' CG ' ' A' ' 37' ' ' LYS . 55.4 t -116.02 128.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.8 mt -108.32 131.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.6 m -92.42 120.56 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.7 102.44 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -75.51 71.95 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 mm -55.41 115.99 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.48 -57.16 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.0 tt0 -147.28 123.86 5.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.75 148.89 87.63 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.322 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -72.24 97.88 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -140.57 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -127.26 133.53 50.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.7 mt -133.4 125.96 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 115.71 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.3 tp -108.6 95.88 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -75.06 100.62 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.46 ' CG2' HD23 ' A' ' 94' ' ' LEU . 3.0 p -94.87 145.29 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -140.58 113.75 8.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.0 mtt -104.05 98.62 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.35 42.42 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 58' ' ' LEU . 2.2 m170 -50.85 -17.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' TYR . 38.5 m -82.84 -64.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.09 149.11 0.11 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.732 0.777 . . . . 0.0 110.856 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.5 Cg_endo -69.75 -24.56 8.5 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.342 -0.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.454 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.6 m-85 -33.25 -43.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 91' ' ' ALA . 8.7 tt -100.59 154.82 18.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' N ' HD21 ' A' ' 90' ' ' LEU . . . -74.54 92.65 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -46.12 173.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -119.42 121.76 40.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 81' ' ' VAL . 7.9 mt -115.85 136.29 53.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -132.29 102.86 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.86 120.73 6.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.425 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . 7.7 ptt180 -128.16 146.47 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -140.54 136.18 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.9 p -52.4 -45.03 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.23 -54.13 48.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.7 mt -54.93 145.42 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -105.03 176.23 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -47.1 -53.49 12.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.68 -44.23 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 106' ' ' GLN . 12.6 mm100 -65.65 -70.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 97' ' ' ARG . 31.9 mt-30 -35.61 -39.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -56.46 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.85 -45.99 71.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.54 -64.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -48.14 -56.82 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -52.57 -51.57 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.11 -41.25 92.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' TYR . 6.9 tp -69.74 -65.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LEU . 39.3 p -34.85 -48.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.1 m -64.72 -43.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 13.1 t80 -59.44 -25.48 64.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.2 -35.1 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.55 -7.05 9.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.3 p -92.06 -8.52 45.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -73.64 147.79 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.28 152.1 52.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.9 Cg_endo -69.77 131.8 21.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.34 -40.37 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.74 165.24 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 29.8 mt -76.46 152.37 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.6 m -127.51 -54.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 128' ' ' CYS . 10.0 p -43.25 -33.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.47 ' N ' HG13 ' A' ' 127' ' ' VAL . 38.6 t -60.67 -40.63 92.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' ALA . . . -75.97 -50.58 14.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 129' ' ' ALA . . . -37.5 -50.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.19 -65.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -54.8 -48.19 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.559 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.8 t90 -48.38 -50.93 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 135' ' ' GLN . 8.2 mt -55.24 -58.63 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 134' ' ' LEU . 32.6 mt-30 -34.81 -49.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.09 -45.27 42.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -90.04 38.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 m -125.62 -43.8 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.66 67.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 p -63.27 -19.19 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -85.94 -53.14 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 143' ' ' LEU . 5.4 m-85 -42.05 -54.45 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' PHE . 44.6 mt -35.1 98.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 142' ' ' PHE . 2.4 t-20 -171.84 118.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -47.35 119.91 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -174.97 109.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.474 ' N ' ' HE3' ' A' ' 146' ' ' LYS . 1.7 pt? -126.1 149.24 49.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 174.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 94.3 p -153.41 145.35 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.67 140.91 3.0 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.2 t -151.44 169.77 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.7 m -146.11 166.16 26.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -149.99 148.84 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -42.31 -47.89 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.56 -168.59 38.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -111.47 159.01 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -93.28 42.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.96 -50.25 3.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 tpp -122.02 44.8 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -149.76 160.84 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.79 174.87 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -116.94 137.44 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -44.28 -41.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CB ' HD23 ' A' ' 51' ' ' LEU . 12.4 mtmm -41.49 -59.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.98 -49.07 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 63.2 m -45.03 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.87 -40.07 83.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 3.2 tp60 -49.46 -55.19 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.12 -24.41 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -80.15 -15.27 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 47' ' ' ILE . 13.9 mt -82.77 -36.35 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -36.08 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.482 ' HA ' ' CG ' ' A' ' 25' ' ' MET . 22.2 pt-20 -68.43 -22.33 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.6 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -60.41 -34.49 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.23 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.482 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 9.0 ptp -46.2 -41.19 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.51 -46.92 87.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 23' ' ' MET . 18.2 m-85 -59.01 -49.57 77.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -56.66 -43.9 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 mtm -61.44 -17.07 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -127.02 85.12 61.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.59 18.27 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.43 157.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -103.15 110.84 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 32.45 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -98.76 -69.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.18 105.83 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -95.59 103.13 14.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -84.99 109.55 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -46.98 -33.78 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 10.7 p-10 -138.84 132.57 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.27 -32.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.4 p30 -79.14 2.38 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.79 95.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 44' ' ' LEU . 5.6 mt -69.41 -45.91 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 46' ' ' ASN . 98.1 m -59.95 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 50.1 m-80 -33.77 -38.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.468 ' CG2' HD12 ' A' ' 20' ' ' LEU . 94.7 mt -63.76 -52.19 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' THR . 74.2 mttt -55.24 -59.04 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 49' ' ' ARG . 1.5 mpt_? -44.74 -52.94 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' GLY . 1.2 t80 -54.54 -51.44 65.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 HD23 ' CB ' ' A' ' 13' ' ' LYS . 11.2 mt -46.2 -21.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -30.18 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 96.71 28.89 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 t -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -133.33 81.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -43.15 -48.8 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.7 114.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -49.19 126.41 15.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.407 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 154.29 67.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.76 134.42 27.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.31 150.87 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.1 mt -79.3 88.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.07 126.56 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE1' HG12 ' A' ' 81' ' ' VAL . 17.9 p90 -151.67 179.93 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.34 126.54 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.53 124.94 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.1 m -76.95 121.96 24.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.54 94.22 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.03 78.96 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.55 115.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -44.94 -42.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.512 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -165.86 131.25 1.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.2 Cg_endo -69.72 127.93 11.66 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.307 -0.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.474 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 1.3 tppt? -49.69 91.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' PRO . 34.7 m -134.18 -176.77 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -123.53 128.51 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.4 mt -129.72 99.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 113.62 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 tp -104.16 109.56 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -90.58 102.15 14.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.542 HG12 ' CE1' ' A' ' 64' ' ' PHE . 1.3 p -92.01 144.41 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 m -136.86 106.78 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.402 ' SD ' ' OE2' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -106.83 98.65 21.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.242 . . . . 0.0 112.295 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -73.97 -1.1 18.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 25.5 m -97.38 -62.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -34.18 147.5 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.739 . . . . 0.0 110.936 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 52.8 Cg_endo -69.8 -24.89 8.35 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.314 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.5 m-85 -33.93 -42.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 2.7 tt -101.61 149.74 23.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.46 94.79 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -48.99 177.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.406 ' N ' HD13 ' A' ' 92' ' ' LEU . 26.4 tt0 -127.48 122.49 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' CG2' ' A' ' 81' ' ' VAL . 5.5 mt -114.29 147.69 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.15 109.91 6.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.01 114.35 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' CB ' ' NE2' ' A' ' 106' ' ' GLN . 21.4 ptt85 -134.91 147.38 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -140.95 148.34 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.8 p -48.02 -39.01 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.01 -37.07 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -77.97 125.51 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -88.16 176.94 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -58.28 -37.76 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -65.58 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -41.66 -41.85 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' CB ' ' A' ' 97' ' ' ARG . 34.1 mt-30 -56.06 -47.23 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 108' ' ' LEU . 0.6 OUTLIER -55.58 -40.39 71.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.442 ' N ' ' HG ' ' A' ' 107' ' ' LEU . 12.1 mt -66.98 -53.1 34.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.476 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 7.7 tp -53.05 -54.57 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' GLY . 29.7 m-80 -56.9 -65.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -40.09 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -83.23 -40.15 9.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.53 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 3.3 tp -74.72 -55.57 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 20.6 p -34.91 -59.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.1 m -55.93 -57.66 11.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.48 -31.86 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 16.2 mm -81.64 -33.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.18 -5.49 89.61 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 80.7 p -78.1 -12.91 60.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 111.098 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -75.72 -177.38 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.7 160.13 29.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.15 -20.99 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.93 170.74 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 47.2 mt -95.91 142.02 28.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 129' ' ' ALA . 56.3 m -115.57 -48.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -41.22 -34.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.58 -40.85 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 126' ' ' CYS . . . -76.83 -45.36 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.47 -50.92 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.7 mt -53.1 -74.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -44.42 -55.55 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 86.8 t90 -44.67 -54.35 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.69 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -42.32 -55.97 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.22 -37.82 78.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -112.48 62.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.5 t -125.54 -46.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.72 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.3 t -44.55 -33.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.476 ' CE2' ' HA ' ' A' ' 109' ' ' LEU . 12.3 m-85 -80.2 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 143' ' ' LEU . 11.3 m-85 -41.79 -48.09 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 142' ' ' PHE . 19.1 mt -35.79 107.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -142.39 140.18 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -58.62 129.17 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -158.91 140.66 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -142.78 154.85 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.7 t -147.84 133.99 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 33.0 p -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 163.01 149.23 5.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 152' ' ' SER . 53.5 Cg_endo -69.7 -43.27 2.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 151' ' ' PRO . 23.2 t -35.59 -66.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.4 t -69.52 123.02 20.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -167.75 144.62 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -107.14 151.15 25.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.1 117.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -88.77 158.96 17.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 p -98.24 -20.47 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.05 -170.41 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -109.65 41.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -134.77 156.57 48.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.19 173.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' VAL . 75.6 m -145.08 138.87 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 87.5 t -36.72 -36.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' CA ' HD23 ' A' ' 51' ' ' LEU . 17.2 mtmm -44.42 -56.3 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' SER . 10.0 mm-40 -54.49 -66.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.2 p -36.21 -60.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.86 -34.03 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.543 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 1.5 tp60 -61.38 -56.17 23.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.22 -26.19 50.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.39 -15.26 62.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.7 mt -88.76 -44.2 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' CD1' ' CE ' ' A' ' 25' ' ' MET . 1.0 OUTLIER -60.21 -33.93 72.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.82 -32.43 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.15 -45.33 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 25' ' ' MET . 8.6 pt-20 -70.02 -42.69 72.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.409 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 14.8 mtm -60.57 -34.0 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.12 -51.23 48.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -51.33 -43.94 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -58.24 -41.54 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 mtm -71.52 -20.17 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CZ ' ' CG2' ' A' ' 66' ' ' ILE . 76.6 m-85 -118.97 84.67 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.0 4.64 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.0 134.42 57.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.76 -41.45 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.46 56.96 4.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -128.8 -65.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.98 121.71 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -113.34 118.19 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.7 mt -112.64 109.73 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -40.02 -37.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -150.52 126.28 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.57 -15.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -72.44 -10.28 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.79 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.27 -36.48 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.3 m -65.76 -57.71 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -38.6 -45.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' TYR . 93.0 mt -56.44 -62.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -39.62 -44.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -62.78 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.7 t80 -60.89 -52.36 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.408 HD23 ' CA ' ' A' ' 13' ' ' LYS . 50.6 mt -47.37 -35.08 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.66 -29.91 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.82 50.98 3.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -119.92 -8.54 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 111.124 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -126.11 118.36 25.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.99 -49.78 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 119.81 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -48.06 130.34 12.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.916 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 152.25 69.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -49.41 173.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.8 mt -101.09 95.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -116.78 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.8 p90 -153.64 -177.99 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.6 t -129.1 126.53 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.572 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 47.5 mt -107.55 137.2 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.3 m -93.81 116.03 28.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.18 93.39 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -74.44 86.7 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.418 HD13 ' CB ' ' A' ' 138' ' ' SER . 20.6 mm -64.44 106.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -39.63 -47.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.8 tt0 -160.91 125.26 2.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.73 148.11 85.99 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 -1.816 . . . . 0.0 112.367 -0.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.57 101.14 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.11 172.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -114.6 131.5 56.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.2 mt -135.32 112.45 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.86 117.76 18.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -105.46 106.19 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -81.2 97.5 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.431 ' CG2' HD22 ' A' ' 94' ' ' LEU . 5.2 p -94.12 143.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.9 m -136.04 118.21 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.4 mtt -111.26 98.59 40.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.521 0.677 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 173.03 11.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.594 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -68.22 -2.69 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' TYR . 3.2 m -95.83 -63.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.04 149.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.715 0.769 . . . . 0.0 110.873 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.8 Cg_endo -69.79 -4.31 8.26 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -38.92 -51.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 91' ' ' ALA . 2.8 pp -104.96 -174.15 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.492 ' N ' ' CD1' ' A' ' 90' ' ' LEU . . . -96.86 100.42 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 pp -45.67 171.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -117.3 119.0 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD22 ' CG2' ' A' ' 81' ' ' VAL . 9.2 mt -117.72 142.18 47.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -146.34 114.66 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.83 119.57 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.26 138.19 52.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -140.2 163.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -83.75 -43.11 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.92 -34.68 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.45 151.31 46.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ARG . 9.3 m-20 -112.09 157.3 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 19.8 ttp-105 -37.09 -63.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -45.85 -58.72 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LEU . 9.2 mm100 -51.5 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' GLN . 22.6 mt-30 -36.75 -50.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.0 -43.0 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLN . 36.5 mt -65.74 -50.87 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.1 -59.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -54.48 -65.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -44.02 -50.45 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.3 -43.25 98.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.28 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.9 p -40.5 -54.12 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -60.42 -43.16 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.35 -37.53 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.6 mm -79.63 -29.9 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.08 52.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.7 p -71.35 -47.19 57.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -40.43 148.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.05 157.88 37.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 151.29 68.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.13 -41.8 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -97.58 168.28 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.17 148.58 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 56.4 m -122.24 -43.14 2.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.2 p -47.96 -30.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.89 -39.69 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -45.37 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.34 -52.15 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 61.5 mt -43.26 -61.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -59.0 -45.86 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -52.45 -41.32 63.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 135' ' ' GLN . 6.2 mt -65.74 -62.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 134' ' ' LEU . 66.0 mt-30 -36.52 -49.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.56 -55.97 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -81.81 47.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.418 ' CB ' HD13 ' A' ' 70' ' ' ILE . 3.1 m -130.69 -60.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.91 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -59.89 -45.75 91.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -51.7 -42.2 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.13 -57.34 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.6 mt -43.69 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -144.37 154.24 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -94.66 138.44 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -131.08 147.13 52.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.5 tp -126.29 143.05 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.9 p -143.11 147.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.3 p -135.52 169.01 18.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.8 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.71 83.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.01 29.01 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 m -170.0 179.44 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.4 t -103.09 155.09 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -135.71 141.45 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -138.44 146.73 42.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.87 179.15 16.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -152.06 163.89 38.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -108.34 171.28 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.72 -141.21 15.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mtt -84.81 -38.2 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m -83.36 149.91 26.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.21 177.74 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' LYS . 66.1 m -81.75 115.95 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 11' ' ' SER . 25.3 t -35.72 -30.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' SER . 57.0 mttp -37.92 -55.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -51.6 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 16' ' ' LEU . 5.0 p -43.08 -58.74 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' N ' ' OG ' ' A' ' 15' ' ' SER . 14.5 mt -53.86 -34.43 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -53.68 44.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.88 -15.78 56.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.409 ' HA ' ' CD ' ' A' ' 22' ' ' GLU . 73.5 mt-30 -85.14 -16.4 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.5 -50.87 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.52 -39.5 91.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' CD ' ' HA ' ' A' ' 19' ' ' GLN . 19.7 pt-20 -54.88 -36.12 64.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.1 mmm -52.71 -50.28 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.76 -37.19 63.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.7 mtt -70.78 -39.73 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.82 -35.82 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.71 -38.38 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -65.36 -38.69 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.5 mtp -69.01 -25.45 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -117.39 81.41 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.42 20.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 m120 -65.9 92.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -45.6 90.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 163.64 -49.82 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -38.04 -56.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.7 t -85.46 103.82 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -97.09 110.87 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.68 119.82 30.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.81 -32.86 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -152.73 130.13 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 m -70.63 -12.17 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -98.47 10.97 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.15 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' CD2' HG12 ' A' ' 62' ' ' ILE . 5.2 mt -80.76 -42.92 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -58.93 -55.59 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -45.75 -30.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.1 mt -78.19 -43.36 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.37 -38.77 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -67.72 -24.63 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 5.3 t80 -75.26 -35.42 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.48 -44.29 97.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.62 -27.62 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.44 26.14 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.1 t -101.82 3.45 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -139.61 113.45 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -80.83 -51.95 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.52 118.3 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.93 116.04 5.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.666 0.746 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.9 4.78 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -52.98 176.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 44' ' ' LEU . 34.0 mt -94.7 98.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -120.15 124.34 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 2.7 p90 -149.18 179.95 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -121.01 124.46 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.5 mt -106.54 128.22 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.8 m -88.09 133.47 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD13 ' CG ' ' A' ' 135' ' ' GLN . 4.3 mm? -99.78 108.23 20.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.14 77.94 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.28 122.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.57 -51.71 68.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 tt0 -155.98 123.92 2.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 151.31 91.28 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.34 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.99 97.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.16 172.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -120.61 133.96 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -132.6 104.76 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 113.5 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 94' ' ' LEU . 20.7 tp -105.28 124.48 49.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -97.8 100.05 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.451 ' CG2' HD22 ' A' ' 94' ' ' LEU . 2.2 p -90.7 127.61 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -129.35 96.82 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.0 117.92 69.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -97.01 9.22 42.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.475 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . 28.2 m -113.35 -54.75 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.81 150.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.703 0.763 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.76 -5.2 8.75 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.5 m-30 -34.34 -44.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -128.98 173.72 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.486 ' O ' ' CD2' ' A' ' 90' ' ' LEU . . . -74.23 114.43 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' CD1' ' HG ' ' A' ' 94' ' ' LEU . 4.3 pp -62.95 -174.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -107.38 135.4 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 81' ' ' VAL . 11.5 mt -140.34 142.65 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -149.53 113.37 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.18 120.67 6.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -113.44 134.6 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -139.39 152.94 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.5 p -74.89 -36.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.24 -52.36 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.498 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 61.1 mt -51.07 146.85 5.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -109.45 164.29 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -43.39 -53.96 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.79 -65.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLN . 10.9 mm100 -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 105' ' ' GLN . 1.1 tt0 -34.41 -59.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.84 -57.13 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -48.83 -55.09 12.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -57.63 9.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -52.53 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -43.17 -53.24 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.03 -34.07 77.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.44 -60.59 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.5 p -42.96 -61.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.1 t -49.82 -50.97 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 133' ' ' TRP . 18.4 t80 -52.32 -29.24 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.5 mm -85.25 -18.12 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.08 -11.99 84.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.3 p -76.34 -35.39 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.35 156.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.96 156.96 41.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 105.42 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.17 -45.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.3 mm-40 -79.67 176.8 9.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.64 142.18 28.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 77.1 m -115.69 -40.25 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.88 -29.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.05 -24.21 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.13 -28.18 18.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.28 74.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.14 -65.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -53.97 -37.64 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' ND2' ' A' ' 137' ' ' ASN . 88.7 t90 -61.35 -46.22 91.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' SER . 8.0 mt -59.05 -56.24 24.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.402 ' CG ' HD13 ' A' ' 68' ' ' LEU . 45.4 mt-30 -51.66 -53.66 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.69 -36.79 84.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.461 ' ND2' ' CD1' ' A' ' 133' ' ' TRP . 39.3 m-20 -111.74 43.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.1 t -107.74 -55.54 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' PHE . . . -52.0 -49.23 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.7 t -42.29 -38.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -79.97 -30.81 39.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.498 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 26.5 m-85 -85.38 -67.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' PHE . 14.6 mt 35.38 44.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.29 -64.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -136.9 164.67 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -112.58 40.2 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.5 pp -159.3 -177.12 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 94.9 t -133.32 129.62 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.2 t -174.49 148.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.14 141.2 12.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.57 69.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.1 p -138.5 165.23 27.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 49.0 m -132.54 172.87 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -57.5 118.61 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -112.38 117.86 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.68 55.1 4.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -161.12 132.64 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -76.91 -56.59 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.01 -147.56 8.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.2 mtm -68.23 -53.16 26.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -72.1 147.53 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.84 166.86 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -78.98 136.18 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 52.7 t -50.26 -44.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' VAL . 47.4 mttt -36.71 -53.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -52.3 -67.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -38.46 -63.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . 46.7 mt -45.16 -37.21 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -45.15 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 18' ' ' LEU . 4.0 mp -74.13 -23.06 59.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -69.64 -30.06 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.3 mt -88.66 -23.75 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.13 -58.02 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.951 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 23' ' ' MET . 0.2 OUTLIER -47.07 -39.07 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 55.6 mmm -44.53 -51.7 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.92 -41.18 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 29.0 mtt -70.87 -65.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' CD1' ' OE1' ' A' ' 22' ' ' GLU . 75.0 mt -41.98 -44.96 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 23' ' ' MET . 9.3 m-85 -57.81 -47.19 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -62.99 -38.27 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.2 mtm -71.01 -26.49 63.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -126.46 80.48 69.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.54 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 32.2 m-20 -49.76 118.07 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 92.36 -38.61 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.438 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.8 mm-40 -36.13 -71.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.89 89.65 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -73.86 112.1 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.56 119.01 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -48.94 -36.49 17.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -146.88 129.29 15.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 m -71.83 -14.3 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.78 14.23 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.65 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.4 -54.37 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.7 m -50.24 -52.98 31.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -44.11 -43.4 6.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 16' ' ' LEU . 69.6 mt -62.38 -49.17 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -48.04 -41.58 26.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -64.98 -31.95 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 21.6 t80 -78.31 -13.5 59.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.7 mt -86.21 -7.23 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.68 -22.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.25 -20.9 29.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -56.02 -17.68 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.53 136.39 39.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -96.12 -31.2 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.74 144.72 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -51.62 123.45 23.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 160.14 50.79 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.11 17.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -52.16 170.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.7 mt -93.1 95.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.94 126.05 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CZ ' HG11 ' A' ' 81' ' ' VAL . 44.6 p90 -154.01 -179.98 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -130.89 135.01 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.9 mt -107.48 135.8 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.0 m -95.63 107.9 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.94 111.32 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.46 81.76 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.7 mm -61.67 118.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.09 -45.04 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 pm0 -161.44 130.78 3.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.73 127.71 11.31 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.397 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.476 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 2.8 tppt? -45.85 90.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 73' ' ' PRO . 28.2 m -141.72 154.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -97.97 132.68 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.1 mt -129.47 115.52 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.75 119.09 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tp -110.43 105.37 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.9 116.31 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.9 p -110.64 127.68 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 m -127.13 99.0 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 87' ' ' TYR . 1.7 mtm -102.07 110.59 62.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -165.88 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.55 ' CE1' HD13 ' A' ' 58' ' ' LEU . 1.3 m170 -82.94 -4.69 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 25.9 m -90.15 -58.58 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.654 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -37.06 150.14 0.15 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.678 0.751 . . . . 0.0 110.926 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.81 8.38 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.321 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 15.5 m-85 -34.08 -45.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 5.2 tt -100.87 150.52 22.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.54 113.83 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.42 179.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -121.49 123.93 43.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 81' ' ' VAL . 8.3 mt -126.04 123.42 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.71 119.91 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.76 133.43 11.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -133.83 137.86 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -138.43 145.41 40.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 m -76.12 -8.21 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -101.42 -46.08 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.497 HD22 ' CE1' ' A' ' 142' ' ' PHE . 15.1 mt -65.68 148.86 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -98.51 172.98 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -52.94 -61.88 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -48.2 -52.3 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -54.53 -60.31 3.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -38.74 -57.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 107' ' ' LEU . 4.3 mm? -39.47 -47.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.78 -54.07 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.68 -61.22 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -48.22 -61.41 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -43.38 -56.32 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.14 62.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.457 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 11.2 tp -68.83 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.92 0.39 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.3 p -37.91 -46.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -70.03 -43.39 71.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.475 ' CD2' ' CD1' ' A' ' 133' ' ' TRP . 42.8 t80 -57.02 -19.63 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.24 -12.26 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.92 6.02 68.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.3 p -102.13 -14.15 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -68.9 160.23 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.71 153.31 37.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.68 3.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.61 -39.07 1.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.05 164.71 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.06 152.22 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 33.8 m -124.29 -28.05 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 128' ' ' CYS . 6.5 p -63.48 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.4 ' N ' HG11 ' A' ' 127' ' ' VAL . 9.8 t -64.48 -34.04 77.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.31 -45.54 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.24 -47.6 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.411 HD11 ' CD2' ' A' ' 26' ' ' LEU . 72.4 mt -48.41 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -55.41 -58.3 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.475 ' CD1' ' CD2' ' A' ' 116' ' ' TYR . 44.0 t90 -38.83 -44.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 135' ' ' GLN . 6.7 mt -59.7 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' LEU . 59.2 mt-30 -36.22 -55.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.42 -46.83 78.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.45 54.3 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -131.5 -66.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -40.62 -54.38 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 t -44.68 -43.05 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.77 -36.74 83.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.497 ' CE1' HD22 ' A' ' 101' ' ' LEU . 18.1 m-85 -75.36 -63.41 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 142' ' ' PHE . 84.9 mt -34.85 105.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -140.04 161.98 36.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 ttp85 -53.66 104.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -155.87 114.36 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.39 130.79 35.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 29.9 m -75.87 131.13 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 47.9 t -69.52 -67.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 116.64 -158.51 14.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.304 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.5 t -70.69 -61.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.3 m -65.78 117.62 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -116.24 120.87 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -74.19 -56.01 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.58 -73.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -55.78 125.26 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -168.68 125.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.81 -150.97 20.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.541 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 9' ' ' SER . 16.3 ptm -117.51 -47.54 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.316 . . . . 0.0 110.817 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 8' ' ' MET . 3.4 t -82.34 134.1 35.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.61 151.75 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 137.1 46.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 16' ' ' LEU . 46.8 t -45.95 -25.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -44.05 -64.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -38.54 -65.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 12' ' ' VAL . 17.9 mt -49.28 -55.89 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.82 -51.18 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.8 mt -52.02 -35.82 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HG2' ' CD1' ' A' ' 87' ' ' TYR . 73.9 mt-30 -62.33 -42.38 99.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.52 -30.28 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.36 -55.62 29.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.486 ' OE1' ' CE ' ' A' ' 83' ' ' MET . 2.8 pt-20 -56.83 -33.26 66.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.451 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 80.6 mmm -57.56 -56.83 16.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.24 -21.07 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.3 mtt -88.04 -28.81 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mt -76.3 -40.86 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -55.62 -53.21 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -34.94 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -68.5 -32.22 72.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -118.11 80.79 15.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.41 93.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -38.9 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.85 -44.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.31 -65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.2 t -90.33 128.94 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -118.05 111.53 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.96 104.54 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -43.22 -35.92 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.65 109.22 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 m -58.17 -17.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -68.79 -14.0 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 -45.96 80.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 mt -66.47 -39.65 88.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -63.85 -56.95 11.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -44.09 -30.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' ARG . 69.4 mt -71.8 -62.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -38.73 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' ILE . 93.2 mtt-85 -68.94 -53.58 20.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.3 t80 -50.66 -45.86 58.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.7 mt -44.45 -32.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -30.13 20.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 101.17 26.4 7.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.434 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -104.47 20.67 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tpm_? -107.87 117.15 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -69.09 -14.43 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -149.19 170.55 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -70.87 127.5 91.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' N ' HD11 ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.73 158.92 55.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -45.68 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.6 mt -95.97 100.17 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -123.19 124.18 42.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 64' ' ' PHE . 1.6 p90 -149.56 -179.06 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 t -124.06 124.98 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.3 mt -107.32 125.53 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -89.75 106.82 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.97 98.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -72.6 81.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 138' ' ' SER . 18.6 mm -66.88 109.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -47.15 -47.15 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.7 pt-20 -158.47 131.92 4.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.3 Cg_endo -69.74 128.33 12.36 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.364 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 tptt -48.16 94.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.59 176.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -119.52 133.21 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -131.8 110.46 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.86 108.59 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.6 tp -102.12 116.12 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.96 105.57 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 2.6 p -96.32 127.95 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 m -125.55 102.51 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.486 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -97.14 114.91 65.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.459 ' CG ' HD23 ' A' ' 90' ' ' LEU . 54.3 Cg_endo -69.68 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.506 ' CE1' HD12 ' A' ' 58' ' ' LEU . 15.2 m170 -81.93 -29.84 32.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 1.5 m -77.03 -45.39 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -35.01 146.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.6 Cg_endo -69.82 -28.07 6.5 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.339 -0.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 22.2 m-85 -34.07 -40.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 6.0 tp -99.19 156.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' HG ' ' A' ' 90' ' ' LEU . . . -77.66 120.9 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.92 -174.85 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -131.27 118.78 20.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 mt -117.99 147.14 43.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -144.66 114.8 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.37 121.42 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -145.35 138.55 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -128.64 163.04 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -63.51 -49.28 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.04 -56.28 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.5 mt -41.36 135.21 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.89 171.28 8.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -48.03 -66.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -44.35 -48.55 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -55.75 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' GLN . 37.3 mt-30 -36.91 -53.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.37 -50.91 64.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.86 -55.03 40.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.44 -57.16 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -57.17 -63.35 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -42.38 -51.11 5.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.43 90.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 114' ' ' THR . 16.0 tp -63.43 -68.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LEU . 6.1 p -35.37 -58.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 t -60.81 -40.24 91.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 42.9 t80 -63.38 -21.33 66.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 40.6 mm -92.17 -14.04 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.85 17.51 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 14.53 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -99.81 152.76 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 147.42 65.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.62 17.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.417 ' CA ' ' HG2' ' A' ' 88' ' ' PRO . . . 117.43 -29.66 6.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -98.38 159.02 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.26 152.96 44.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.3 m -128.2 -43.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 128' ' ' CYS . 10.3 p -49.4 -44.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.438 ' N ' HG11 ' A' ' 127' ' ' VAL . 16.9 m -53.51 -27.94 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.89 -39.13 18.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.17 -45.38 75.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.1 mt -51.12 -59.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.16 -44.41 95.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.26 -36.47 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 138' ' ' SER . 4.7 mt -72.15 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -40.64 -55.77 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.61 -47.54 83.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -99.7 44.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 134' ' ' LEU . 13.8 t -106.29 -51.87 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -67.6 -43.99 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.047 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 21.0 m -41.58 -24.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 139' ' ' ALA . 37.4 m-85 -85.77 -51.99 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 143' ' ' LEU . 27.3 m-85 -48.7 -47.98 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 142' ' ' PHE . 76.3 mt -37.19 106.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -169.77 137.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -56.85 150.98 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -161.65 147.55 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 tt -114.22 111.75 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 30.6 m -72.16 126.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.6 t -152.25 154.13 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -172.62 86.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.17 39.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.9 p -105.4 177.56 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.4 p -152.22 -179.0 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -133.94 -48.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -43.43 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 -150.64 7.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -104.52 177.04 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -125.96 148.87 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 171.1 22.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttp -96.25 83.95 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -173.25 162.73 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.43 134.05 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' VAL . 48.4 t -58.5 113.45 2.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' SER . 84.0 t -33.94 -42.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 37.9 mtmt -37.3 -49.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.52 -55.37 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 m -49.76 -52.15 33.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 23.1 mt -59.73 -43.37 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.97 -49.57 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.08 -25.58 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 69.4 mt-30 -82.09 -23.43 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD12 ' CG2' ' A' ' 47' ' ' ILE . 32.7 mt -81.52 -37.73 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -74.23 -42.56 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' OE1' ' CE ' ' A' ' 83' ' ' MET . 9.5 pt-20 -56.65 -33.92 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 62.8 mmm -56.42 -26.45 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -82.83 -50.09 9.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.1 ptp -59.63 -26.73 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.08 -48.77 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 23' ' ' MET . 10.9 m-85 -55.04 -55.22 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -44.31 -44.59 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtp -60.34 -39.95 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 64.9 m-85 -105.13 96.48 11.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.72 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -53.91 105.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -59.95 129.54 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.95 -40.25 1.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -40.78 -56.16 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 64' ' ' PHE . 94.1 t -83.09 103.4 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -87.2 103.18 15.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.4 mt -87.07 104.37 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -45.31 -38.69 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -136.89 116.37 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.29 -32.85 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -84.48 28.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.11 -42.19 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.75 -50.82 31.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -47.29 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -42.85 -62.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CG2' HD12 ' A' ' 20' ' ' LEU . 77.1 mt -40.01 -58.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -45.04 -44.19 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -41.92 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.547 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 53.0 t80 -55.57 -44.94 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 13' ' ' LYS . 37.5 mt -53.53 -41.71 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.14 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.56 -34.61 5.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -38.65 -35.78 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -113.56 109.55 18.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.21 -50.59 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.19 127.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.4 OUTLIER -56.72 121.7 46.4 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HG3' ' CB ' ' A' ' 50' ' ' TYR . 53.3 Cg_endo -69.86 158.87 55.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.4 30.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 175.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.1 mt -104.42 102.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -123.15 129.49 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' A' ' 36' ' ' VAL . 17.7 p90 -159.11 178.35 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.6 t -121.58 131.09 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mt -106.51 124.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -82.61 109.02 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 131' ' ' ILE . 4.5 mm? -78.54 91.71 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -70.54 76.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 71' ' ' GLU . 43.7 mm -60.96 97.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' ILE . 26.5 mt-10 -36.08 -60.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.482 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.8 tt0 -148.63 126.63 5.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.78 150.86 90.86 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.336 -0.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -72.12 100.71 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.4 m -144.54 149.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -98.12 121.99 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 78.3 mt -121.02 101.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.5 103.79 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.7 tp -94.51 111.14 22.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -87.5 95.98 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 ' CG2' HD21 ' A' ' 94' ' ' LEU . 5.8 p -92.01 144.83 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.2 m -141.98 121.12 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.448 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 8.0 mtt -110.34 98.34 35.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.41 ' CG ' HD22 ' A' ' 90' ' ' LEU . 53.7 Cg_endo -69.77 171.75 13.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.546 ' CE1' HD13 ' A' ' 58' ' ' LEU . 8.8 m170 -59.57 -14.07 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 19.2 m -86.65 -63.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -32.85 146.56 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.352 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -33.65 -48.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.0 tt -95.3 148.2 22.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' C ' HD21 ' A' ' 90' ' ' LEU . . . -69.57 95.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.0 pp -47.0 174.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.468 ' N ' HD12 ' A' ' 92' ' ' LEU . 43.3 mt-30 -119.15 125.86 50.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 92' ' ' LEU . 11.3 mt -123.7 131.39 53.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -138.98 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -113.04 130.16 9.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -128.01 134.26 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 t -140.73 163.11 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -53.38 -53.55 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -55.59 -52.51 63.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mt -75.34 121.14 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.85 -71.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -126.46 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -59.94 -44.25 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.75 -55.34 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' LEU . 30.4 mt-30 -52.03 -62.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLN . 19.6 mt -35.67 -55.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' CE1' ' A' ' 141' ' ' TYR . 83.3 mt -50.16 -47.68 54.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 141' ' ' TYR . 6.0 tp -67.52 -57.66 6.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.24 -63.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -39.36 -40.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.83 -47.69 24.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.67 -57.57 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 22.7 p -47.3 -50.21 22.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -41.16 86.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 27.1 t80 -58.02 -42.46 85.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 46.0 mm -77.47 -38.02 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.67 -28.47 15.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.3 p -67.64 -44.95 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -38.22 145.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.6 158.16 33.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.48 5.11 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.68 -44.73 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.2 pt-20 -100.38 176.8 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.2 mt -79.71 165.39 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 75.2 m -133.82 -53.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 128' ' ' CYS . 12.7 p -44.26 -39.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.459 ' N ' HG13 ' A' ' 127' ' ' VAL . 22.1 p -56.5 -40.55 75.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -38.52 59.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.71 -58.14 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 68' ' ' LEU . 31.5 mt -46.37 -58.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -54.85 -56.89 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.565 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 81.1 t90 -47.52 -59.35 3.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.4 mt -48.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -45.85 -47.8 15.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -43.34 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 133' ' ' TRP . 0.8 OUTLIER -117.65 43.65 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.4 t -90.45 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.446 ' HB3' ' CD ' ' A' ' 73' ' ' PRO . . . -54.72 -46.27 74.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 139' ' ' ALA . 66.6 m -34.09 -45.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 109' ' ' LEU . 99.7 m-85 -73.63 -63.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 47.5 m-85 -38.63 -52.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' PHE . 26.7 mt -34.6 -65.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -51.32 98.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 145' ' ' ARG . 14.5 ttp-105 -141.49 131.69 24.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -96.53 30.83 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 8.9 mp -119.64 124.16 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.99 -57.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.1 p -96.92 -38.64 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 89.02 111.85 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 132.91 24.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -159.75 115.8 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 45.0 p -85.74 -57.83 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p 38.82 40.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -59.74 120.27 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.46 91.33 1.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -67.54 -52.57 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.8 p -158.31 142.32 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.25 -142.64 3.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -129.84 -42.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.19 169.73 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.31 141.73 45.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -80.15 122.64 27.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -41.12 -40.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 29.8 mtmt -38.79 -45.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.17 -65.52 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 49.8 m -43.74 -61.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.1 mt -47.67 -45.92 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.91 42.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 18' ' ' LEU . 7.0 mp -72.22 -29.45 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' O ' ' CG ' ' A' ' 22' ' ' GLU . 16.0 mt-30 -64.05 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.1 mt -72.68 -33.2 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.07 -56.87 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.497 ' OE1' ' CE ' ' A' ' 83' ' ' MET . 2.8 pt-20 -47.43 -36.58 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 48.5 mmm -57.37 -35.41 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.58 -38.0 70.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtt -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.37 -56.38 16.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 23' ' ' MET . 15.3 m-85 -45.48 -54.16 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -58.9 -41.55 87.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtm -65.04 -23.01 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -121.4 81.16 38.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -20.81 34.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -85.04 121.75 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.0 132.1 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.06 -41.84 1.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -61.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.497 HG11 ' CD2' ' A' ' 64' ' ' PHE . 22.8 t -93.6 115.59 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -110.6 98.0 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.7 mt -82.8 131.19 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.4 -22.03 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.9 p-10 -164.68 124.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.478 HG21 ' ND2' ' A' ' 42' ' ' ASN . 33.4 m -66.42 -20.74 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.478 ' ND2' HG21 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -81.35 -17.13 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' HB1' ' CG ' ' A' ' 40' ' ' ASP . . . -56.11 -31.12 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.34 -36.74 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ILE . 66.7 m -69.05 -63.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . 75.5 m-20 -36.3 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' THR . 76.4 mt -68.96 -61.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -41.46 -30.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.51 -42.84 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.469 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 45.1 t80 -57.51 -26.75 61.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.8 -52.09 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.44 -13.15 50.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.23 34.53 32.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 t -105.38 3.02 29.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.093 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -100.02 136.05 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.16 -32.4 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.44 151.96 37.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -62.85 128.06 91.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.887 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.43 ' HD2' ' CD1' ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.7 159.46 53.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.363 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 128.73 16.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -53.5 169.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.4 mt -94.25 108.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.86 137.79 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CD2' HG11 ' A' ' 36' ' ' VAL . 1.8 p90 -165.52 179.69 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.58 125.7 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -107.06 129.96 59.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.7 m -87.64 135.39 33.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -101.33 93.68 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -68.93 75.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.7 mm -57.79 107.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -49.89 -54.95 16.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 4.8 tt0 -145.76 123.46 6.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 148.58 86.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.371 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -66.63 80.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -126.42 171.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -115.44 143.25 45.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.4 mt -145.52 132.62 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.65 128.07 44.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 94' ' ' LEU . 8.9 tp -114.86 116.72 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.543 ' NE2' HH21 ' A' ' 97' ' ' ARG . 21.0 mt-30 -88.27 105.28 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.9 p -100.35 136.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.3 m -139.94 108.0 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.497 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -112.08 117.09 48.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.843 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.551 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -84.08 0.39 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.2 t -98.37 -58.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.59 150.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.698 0.761 . . . . 0.0 110.889 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.549 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 54.1 Cg_endo -69.75 -1.44 6.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.401 -0.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.421 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 4.5 m-30 -39.19 -52.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 2.4 pp -103.29 -174.06 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' HD11 ' A' ' 90' ' ' LEU . . . -96.98 97.23 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 87' ' ' TYR . 4.1 pp -46.96 172.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.41 ' N ' HD11 ' A' ' 92' ' ' LEU . 38.9 tt0 -111.22 133.11 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.439 ' CD2' HD12 ' A' ' 79' ' ' LEU . 6.7 mt -129.03 144.59 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.24 106.02 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.07 125.48 8.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.543 HH21 ' NE2' ' A' ' 80' ' ' GLN . 75.2 mtm180 -130.86 134.64 46.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -140.67 150.54 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.1 p -63.95 -41.45 97.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -67.33 -49.43 64.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.9 135.85 49.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.82 173.62 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -54.61 -55.93 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -53.89 -59.44 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -45.36 -50.14 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -50.47 -59.61 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.8 mt -39.65 -45.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.03 -44.6 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.39 -57.3 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -60.87 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -42.38 -49.85 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.25 -35.96 91.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.6 -50.92 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.5 p -49.98 -47.58 52.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -60.01 -45.16 93.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.512 ' CG ' ' CD1' ' A' ' 133' ' ' TRP . 53.2 t80 -58.56 -38.78 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.2 mm -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.6 -20.71 56.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.8 p -73.92 -39.24 63.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -47.13 156.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -108.03 158.12 34.42 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.7 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.42 -33.74 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 9.0 pt-20 -111.29 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 38.4 mt -83.79 152.13 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.7 -48.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.1 p -45.54 -33.82 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 45.5 t -59.18 -41.29 88.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.51 -49.09 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -39.98 -44.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 71.4 mt -51.83 -64.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -57.69 -54.64 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.512 ' CD1' ' CG ' ' A' ' 116' ' ' TYR . 69.7 t90 -41.9 -51.93 4.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 135' ' ' GLN . 3.3 mt -54.27 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 134' ' ' LEU . 47.5 mt-30 -35.03 -61.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.18 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -89.54 59.85 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -128.64 -54.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.13 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 t -41.76 -45.64 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -72.21 -62.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 145' ' ' ARG . 49.4 m-85 -38.28 -41.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 142' ' ' PHE . 16.8 mt -36.42 106.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 61.91 47.31 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -56.47 160.19 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.405 ' O ' ' NH1' ' A' ' 145' ' ' ARG . 25.4 tptt -87.56 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.464 ' HB3' ' CD ' ' A' ' 145' ' ' ARG . 2.2 pp -126.28 149.19 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.92 142.16 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.6 m -58.19 148.71 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -152.05 134.0 4.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 170.06 17.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 158.42 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 79.5 p -162.71 157.67 22.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -138.5 117.13 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -93.66 175.0 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.0 -82.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -70.77 -52.54 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -157.55 145.4 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.31 149.81 21.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -48.95 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -128.0 125.69 39.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.95 170.12 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 11.3 t -73.11 131.79 42.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 42.0 t -36.21 -39.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' VAL . 72.3 mttt -35.8 -66.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -49.23 -51.29 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -49.89 -57.64 7.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 47' ' ' ILE . 66.8 mt -55.26 -52.01 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -40.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 18' ' ' LEU . 8.9 mp -72.96 -37.1 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 84' ' ' PRO . 67.5 mt-30 -55.04 -40.74 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.57 -29.65 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -62.18 -55.63 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 125' ' ' LEU . 2.6 pp20? -60.78 -36.05 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mmm -51.27 -50.74 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.95 -48.84 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtt -58.72 -36.5 74.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.37 -48.01 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -54.97 -51.13 67.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -61.11 -42.39 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.7 mtp -62.52 -29.7 70.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -118.38 82.25 18.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.55 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -59.99 95.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -41.78 133.69 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.74 -45.29 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.97 -69.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 64' ' ' PHE . 61.3 t -78.05 126.87 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.26 96.75 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -53.41 -15.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -171.53 111.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.31 -11.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -76.07 -11.22 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.89 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.38 -36.59 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -65.98 -63.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -37.33 -47.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 16' ' ' LEU . 81.0 mt -54.65 -51.05 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -51.15 -19.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 mmm-85 -83.34 -34.22 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.88 -42.8 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.88 -28.39 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -30.14 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.78 12.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -96.84 -14.64 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 111.162 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 29.6 ttm-85 -122.07 78.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ARG . 11.4 mm-40 -37.56 -50.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 120.04 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -52.13 125.93 34.17 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 159.12 54.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -55.91 179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.8 mt -105.52 97.01 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -123.13 133.98 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.455 ' CD2' HG12 ' A' ' 36' ' ' VAL . 30.8 p90 -163.1 177.98 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.06 129.61 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.0 mt -107.32 124.96 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.7 m -84.36 101.61 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 68' ' ' LEU . 3.7 mm? -66.05 100.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 75.43 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.64 130.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.2 -42.82 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tt0 -160.94 123.9 1.85 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.77 140.63 61.71 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.353 0.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.22 84.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.99 168.03 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -110.03 142.81 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.8 mt -143.79 114.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -80.48 116.14 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' A' ' 94' ' ' LEU . 11.2 tp -104.58 110.61 22.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -82.82 91.67 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 82' ' ' THR . 9.7 p -85.03 147.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.477 ' N ' HG22 ' A' ' 81' ' ' VAL . 9.0 m -141.5 108.83 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.578 ' SD ' ' CE1' ' A' ' 87' ' ' TYR . 19.6 mtm -107.45 106.36 58.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.457 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 53.8 Cg_endo -69.78 -168.89 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.57 ' CE1' HD13 ' A' ' 58' ' ' LEU . 6.9 m170 -80.21 -22.8 41.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 90' ' ' LEU . 55.7 m -79.1 -52.74 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE1' ' SD ' ' A' ' 83' ' ' MET . 0.5 OUTLIER -32.93 146.24 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.685 0.755 . . . . 0.0 110.911 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.569 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.72 -24.8 8.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.342 -0.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 88' ' ' PRO . 7.3 m-85 -31.76 -41.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 86' ' ' SER . 6.4 tt -98.55 160.87 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' N ' HD22 ' A' ' 90' ' ' LEU . . . -86.3 96.87 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 87' ' ' TYR . 3.9 pp -46.44 170.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.6 115.85 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.478 ' CD2' HD12 ' A' ' 79' ' ' LEU . 13.9 mt -111.72 140.89 45.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -150.05 111.8 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.33 142.15 15.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -147.46 134.5 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 m -140.98 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 m -78.23 -53.78 6.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -54.11 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.08 157.57 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -109.04 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.02 -50.08 73.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -56.96 -58.49 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -52.16 -58.8 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -39.5 -52.89 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.8 mt -49.1 -41.05 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.52 -44.74 81.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.37 -54.35 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -57.36 -63.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -41.24 -48.71 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.0 -44.36 98.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 114' ' ' THR . 13.9 tp -68.82 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.8 p -37.13 -51.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 m -62.16 -46.6 88.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -54.63 -35.07 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.3 mm -81.78 -30.35 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.51 -6.1 53.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 74.2 p -93.41 -32.56 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -42.85 159.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 2.8 t70 -90.76 140.85 26.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 121' ' ' ASP . 53.4 Cg_endo -69.77 96.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 156.62 -22.68 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -112.07 174.48 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 22' ' ' GLU . 61.2 mt -78.27 147.98 34.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.7 m -124.43 -40.92 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 128' ' ' CYS . 13.3 p -55.15 -29.3 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.447 ' N ' HG13 ' A' ' 127' ' ' VAL . 30.9 p -64.37 -28.36 69.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.52 -48.5 7.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.28 -34.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.37 -56.13 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.97 -52.84 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -43.73 -46.84 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' GLN . 11.1 mt -63.59 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' LEU . 42.7 mt-30 -36.83 -48.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.34 -51.97 26.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -89.63 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.3 t -109.41 -50.39 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.23 -48.63 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 p -38.94 -40.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -74.71 -55.45 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 143' ' ' LEU . 10.1 m-85 -47.5 -54.33 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' PHE . 18.3 mt -35.56 107.22 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -164.88 167.42 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -110.46 122.61 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -119.51 148.54 43.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.27 -179.44 4.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 14.6 p -155.93 156.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 22.5 p -122.41 176.46 5.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.97 145.97 17.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.2 t -125.7 176.19 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.6 t -157.57 173.99 16.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -161.63 172.0 17.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.23 179.84 26.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -103.67 93.34 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -124.0 111.37 15.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.92 47.07 6.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -171.98 127.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -70.69 -64.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.11 171.69 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -103.39 129.55 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t -38.67 -37.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -47.2 -69.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -45.96 -48.43 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 m -50.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -39.5 -46.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.48 -53.78 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 18' ' ' LEU . 3.3 mm? -57.87 -29.3 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -75.11 -14.94 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.1 mt -91.91 -52.53 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.08 -30.97 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.8 pp20? -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mmm -69.12 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 26.4 mtm -79.65 -28.53 40.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -48.3 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -48.56 -54.99 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -52.43 -38.45 59.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.0 mtm -68.3 -33.7 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.81 80.58 14.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -35.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -62.93 95.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -42.91 152.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.99 -42.88 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -68.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.518 HG13 ' CD2' ' A' ' 64' ' ' PHE . 46.8 t -81.02 106.55 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -95.34 104.67 16.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -93.72 122.06 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -52.16 -36.79 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.05 127.08 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.43 -13.46 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.44 2.06 56.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.25 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.5 -45.57 62.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ASN . 95.2 m -59.89 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' THR . 90.8 m-20 -35.25 -45.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.7 mt -58.02 -58.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -38.96 -34.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -72.85 -44.93 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.8 t80 -58.93 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.22 -33.49 75.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 52' ' ' GLU . 2.4 tp10 -74.63 -28.9 61.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.63 30.73 5.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -112.4 22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 111.146 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -143.52 122.04 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -89.85 -32.52 16.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.73 120.05 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.539 HD11 ' CE1' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -47.02 128.6 9.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.44 ' N ' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.69 159.32 53.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 111.9 2.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.52 167.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.3 mt -94.14 97.93 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -120.04 127.73 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CD2' HG13 ' A' ' 36' ' ' VAL . 9.2 p90 -152.94 -178.66 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -125.76 129.56 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.9 mt -109.28 127.85 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -86.43 111.18 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.18 98.32 8.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.28 69.62 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 5.5 mm -47.94 114.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -54.67 -59.17 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 15.0 tt0 -141.47 121.93 8.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.79 157.76 91.79 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -77.84 94.98 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.93 164.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -109.97 131.65 54.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.4 mt -136.01 117.43 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.28 117.86 20.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -107.67 107.9 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -83.59 109.5 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.471 ' CG2' HD22 ' A' ' 94' ' ' LEU . 2.2 p -104.02 129.36 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -127.93 106.85 9.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.08 122.01 55.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.458 ' CG ' ' HB3' ' A' ' 90' ' ' LEU . 54.4 Cg_endo -69.75 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.539 ' CE1' HD11 ' A' ' 58' ' ' LEU . 14.0 m170 -87.87 -28.42 21.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.6 m -77.09 -45.43 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.55 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -32.32 144.55 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.693 0.759 . . . . 0.0 110.903 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.72 5.49 3.64 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 -1.796 . . . . 0.0 112.365 -0.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.506 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 79.5 m-85 -80.64 25.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' HB3' ' CG ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -148.11 161.23 41.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -87.27 76.43 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 pp -41.88 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -113.4 124.08 51.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 81' ' ' VAL . 5.6 mt -122.25 122.76 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -130.92 113.12 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.35 116.94 5.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -122.27 134.31 54.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -140.11 139.19 35.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.0 p -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.59 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.548 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 81.2 mt -57.1 136.42 56.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 103' ' ' ARG . 30.2 m-20 -92.42 163.85 13.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASP . 22.2 ttm180 -34.34 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -51.93 -56.6 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -55.04 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -37.99 -43.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.01 -53.97 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.99 -46.33 71.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.08 -57.5 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -52.01 -56.08 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -40.79 -45.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.95 -46.53 72.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.5 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 11.1 tp -65.07 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 p -37.82 -54.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 m -68.12 -35.67 78.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.45 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 50.7 t80 -60.87 -22.64 64.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.3 mm -93.2 -34.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.89 -15.42 27.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -77.99 -45.79 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.149 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -42.07 141.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.3 159.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 131.35 21.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.68 -46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -95.3 160.13 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -68.4 155.99 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 69.3 m -125.81 -45.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 128' ' ' CYS . 11.2 p -50.64 -41.54 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.406 ' N ' HG11 ' A' ' 127' ' ' VAL . 20.8 t -56.74 -25.62 55.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.01 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 94' ' ' LEU . . . -48.46 -53.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.9 mt -46.87 -62.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -53.97 -47.5 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TRP . . . . . 0.5 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 90.6 t90 -51.73 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 135' ' ' GLN . 10.3 mt -40.97 -61.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.3 mm-40 -35.66 -49.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.1 -46.59 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -89.73 46.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -117.52 -52.57 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -60.46 -49.06 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' ALA . 5.1 t -37.13 -36.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -86.72 -47.22 9.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.548 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 23.5 m-85 -67.29 -68.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt 42.91 42.86 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -105.68 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -97.94 119.34 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -131.84 123.61 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.5 tt -117.04 92.67 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 19.9 m -109.67 -41.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 71.1 m -45.94 137.91 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.98 156.51 24.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.431 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.39 9.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.5 m 62.74 41.12 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 67.1 m -53.71 -55.65 24.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' VAL . 5.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.1 t -37.0 -41.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' VAL . 18.2 mtpt -36.01 -60.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -53.71 -59.21 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -40.6 -62.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD22 HD13 ' A' ' 47' ' ' ILE . 50.7 mt -49.51 -42.13 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -47.91 75.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 21' ' ' LEU . 10.0 mp -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -82.36 -19.59 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.513 HD23 HD11 ' A' ' 62' ' ' ILE . 87.6 mt -93.03 -37.59 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.55 -41.13 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.497 ' OE1' HG11 ' A' ' 127' ' ' VAL . 7.1 pt-20 -59.08 -24.85 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.4 mmm -62.33 -44.24 96.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.44 -32.29 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtm -74.98 -43.25 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.84 -44.06 97.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.24 -36.14 74.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -67.89 -46.07 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mtm -68.68 -10.92 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD1' ' OE1' ' A' ' 35' ' ' GLU . 57.6 m-85 -126.74 89.14 52.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -31.59 20.28 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -68.79 136.81 53.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.61 -28.99 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.96 40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 9.8 mm-40 -112.2 -74.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 64' ' ' PHE . 66.4 t -83.39 112.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -103.05 102.53 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.44 120.62 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.35 -33.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -158.47 123.62 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 m -63.54 -16.28 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -91.4 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.84 -35.55 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -63.8 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -38.77 -36.88 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD13 HD22 ' A' ' 16' ' ' LEU . 47.0 mt -68.83 -59.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -42.17 -28.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -75.26 -39.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -62.13 -32.07 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.13 -32.53 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -72.05 -30.0 64.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.617 0.722 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.98 20.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -56.36 170.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD11 HD23 ' A' ' 20' ' ' LEU . 67.2 mt -94.99 93.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HG3' HG23 ' A' ' 82' ' ' THR . 14.0 tt0 -113.09 132.26 55.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' HE2' HD11 ' A' ' 66' ' ' ILE . 3.1 p90 -156.85 175.51 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.97 125.07 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.599 HD11 ' HE2' ' A' ' 64' ' ' PHE . 43.0 mt -107.0 129.46 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.634 HG21 ' HD2' ' A' ' 76' ' ' LYS . 94.8 m -88.83 127.14 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.02 102.1 14.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -78.6 73.52 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.0 mm -59.44 121.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.49 -37.94 80.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.3 tt0 -164.2 124.74 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.2 Cg_endo -69.82 134.6 30.25 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.288 0.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -52.57 90.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 73' ' ' PRO . 32.1 m -139.91 173.81 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.634 ' HD2' HG21 ' A' ' 67' ' ' THR . 18.6 ttpt -124.46 130.16 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.85 106.65 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.41 118.09 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.773 HD11 HD22 ' A' ' 94' ' ' LEU . 6.3 tp -109.82 111.45 22.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -90.04 102.8 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.1 p -96.83 136.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 63' ' ' GLU . 6.1 m -136.15 108.56 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.415 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.2 OUTLIER -105.29 101.83 33.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.3 Cg_endo -69.78 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.24 3.78 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 53.9 m -102.34 -62.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -36.64 150.01 0.14 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.79 -24.33 8.64 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.334 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.0 m-85 -34.52 -44.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 4.0 tt -100.62 154.35 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -72.83 100.96 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 92' ' ' LEU . 3.4 pp -54.63 175.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 92' ' ' LEU . 5.9 tp60 -121.74 125.33 46.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 79' ' ' LEU . 5.6 mt -122.66 154.91 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -139.33 111.34 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.07 111.75 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -144.17 144.47 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.17 148.42 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 p -48.7 -45.02 38.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.78 -61.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.6 mt -39.65 155.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -113.37 177.6 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -59.12 -58.01 10.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -56.75 -47.25 80.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -54.92 -61.1 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 107' ' ' LEU . 34.1 mt-30 -39.64 -61.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' GLN . 14.2 mt -38.15 -55.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.85 -50.94 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.946 HD12 ' CD2' ' A' ' 141' ' ' TYR . 4.8 tp -58.4 -65.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -44.44 -55.86 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -49.87 -56.88 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.75 -33.25 42.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 114' ' ' THR . 6.1 tp -76.1 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.0 p -35.1 -49.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.867 ' O ' HG23 ' A' ' 119' ' ' THR . 73.9 m -61.26 -46.72 89.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 113' ' ' LEU . 62.3 t80 -55.12 -43.68 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.543 HG23 ' HB3' ' A' ' 126' ' ' CYS . 32.3 mm -75.5 -23.6 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 10.83 58.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 115' ' ' SER . 10.4 p -115.23 17.6 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -101.41 158.61 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.93 144.92 37.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 94.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.28 -33.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 4.3 pt-20 -105.76 169.87 8.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.5 mt -76.75 155.34 33.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.543 ' HB3' HG23 ' A' ' 117' ' ' ILE . 4.3 m -125.6 -35.56 2.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.497 HG11 ' OE1' ' A' ' 22' ' ' GLU . 8.7 p -57.45 -28.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 15.1 m -69.17 -23.97 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -93.28 -29.35 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -61.22 -35.79 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.95 -59.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.91 -45.56 92.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -49.43 -56.45 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.5 mt -53.44 -56.87 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -46.31 -62.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -41.08 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.26 50.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.9 t -105.95 -43.55 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.34 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -43.64 -37.4 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.946 ' CD2' HD12 ' A' ' 109' ' ' LEU . 91.0 m-85 -77.68 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 15.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.4 t -35.56 -41.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' VAL . 31.7 mtmt -36.3 -52.05 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -59.37 -49.86 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.2 m -54.18 -51.78 63.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 47' ' ' ILE . 19.2 mt -58.89 -35.05 72.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.49 -47.46 85.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.3 mm? -60.86 -25.27 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.76 ' HB3' HD12 ' A' ' 62' ' ' ILE . 46.9 mt-30 -81.21 -14.63 57.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.64 HD11 HG22 ' A' ' 47' ' ' ILE . 39.1 mt -91.1 -55.46 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp -53.53 -30.81 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG2' ' C ' ' A' ' 19' ' ' GLN . 7.9 pt-20 -67.9 -29.78 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.8 mmm -64.5 -48.26 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -63.82 -23.33 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 34.9 mtm -88.28 -35.43 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.64 -45.39 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.88 -44.6 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 t -63.25 -46.0 88.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.6 mtm -60.42 -20.0 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CE2' HD13 ' A' ' 66' ' ' ILE . 74.2 m-85 -117.51 89.77 33.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.8 37.14 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.43 -20.29 53.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 42.66 52.52 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -48.36 -45.53 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.57 91.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -85.7 110.41 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.7 mt -99.43 108.73 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' LEU . 16.7 pt-20 -36.57 -46.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.75 129.87 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.12 -16.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 35.3 m-80 -88.31 1.92 53.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.48 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.75 -43.62 36.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -61.45 -48.16 82.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.419 HD22 ' CD ' ' A' ' 60' ' ' PRO . 36.2 m-20 -51.33 -48.68 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.64 HG22 HD11 ' A' ' 20' ' ' LEU . 59.0 mt -48.85 -57.15 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -44.73 -40.53 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.44 -37.32 77.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -59.68 -48.7 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.41 -34.15 10.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -30.25 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.666 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.666 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.78 155.68 65.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.612 2.208 . . . . 0.0 112.369 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.419 ' CD ' HD22 ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -52.26 156.97 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.76 HD12 ' HB3' ' A' ' 19' ' ' GLN . 72.6 mt -82.99 102.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.541 ' CG ' HG23 ' A' ' 82' ' ' THR . 5.4 mt-10 -120.91 133.75 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CZ ' HG11 ' A' ' 81' ' ' VAL . 13.1 p90 -162.07 -179.69 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.783 HG11 ' OD2' ' A' ' 78' ' ' ASP . 88.4 t -131.31 128.46 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.649 HD13 ' CE2' ' A' ' 30' ' ' PHE . 8.7 mt -106.55 125.02 62.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.442 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 67.0 m -83.96 106.37 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.3 mm? -77.06 93.62 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.61 80.78 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 70' ' ' ILE . 4.8 mm -61.67 116.37 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PRO . 33.3 mm-40 -63.94 -64.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 73' ' ' PRO . 2.0 tp10 -122.22 110.53 32.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 -175.9 11.7 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.368 -0.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -102.17 94.25 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 142' ' ' PHE . 13.7 m -144.04 -177.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HG3' ' CG2' ' A' ' 67' ' ' THR . 15.0 ttpp -127.41 139.42 52.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.79 108.98 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.783 ' OD2' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -74.08 112.02 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.011 HD11 HD22 ' A' ' 94' ' ' LEU . 13.3 tp -101.91 120.92 41.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.478 ' HA ' HG22 ' A' ' 65' ' ' VAL . 7.4 mt-30 -95.38 111.42 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.5 p -103.13 145.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.541 HG23 ' CG ' ' A' ' 63' ' ' GLU . 36.9 m -139.81 108.32 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.416 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -108.23 98.96 29.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.1 Cg_endo -69.83 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.05 -8.73 57.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 41.9 m -89.36 -63.18 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.78 148.57 0.15 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.758 . . . . 0.0 110.924 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.81 -24.35 8.63 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.326 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.8 m-85 -34.3 -43.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.5 tt -102.04 154.64 18.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -72.58 107.03 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.2 pp -61.32 178.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.463 ' N ' HD12 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -123.29 138.27 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.011 HD22 HD11 ' A' ' 79' ' ' LEU . 7.0 mt -137.82 144.95 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -144.35 122.71 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.24 128.88 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -137.77 142.18 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.3 t -140.61 123.7 16.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.6 t -43.66 -41.24 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.58 -45.84 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.777 HD21 ' CE1' ' A' ' 142' ' ' PHE . 24.0 mt -56.48 179.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.4 -179.13 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -68.25 -51.43 45.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -57.01 -50.72 71.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 26.0 mt-30 -62.4 -53.79 49.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -43.26 -55.18 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 107' ' ' LEU . 8.3 mt -47.47 -64.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.5 mt -45.2 -47.0 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.09 -69.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -47.29 -58.83 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -41.32 -54.3 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.69 75.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.22 -55.92 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -38.42 -57.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 119' ' ' THR . 14.1 m -57.99 -49.24 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 60.3 t80 -53.57 -35.62 60.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.6 mm -83.61 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.66 -9.07 86.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 115' ' ' SER . 33.6 p -78.58 -40.85 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -45.22 158.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 158.75 31.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.52 -32.5 2.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 10.1 pt-20 -103.61 168.54 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.63 152.89 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.74 -37.48 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 128' ' ' CYS . 14.9 p -52.09 -44.39 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 127' ' ' VAL . 42.1 t -54.39 -28.94 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.34 10.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.85 -39.72 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.45 -49.99 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.533 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 75.6 t90 -48.41 -51.61 25.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -55.09 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.65 -49.69 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.74 -27.43 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -111.6 50.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.7 t -117.03 -52.78 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -54.46 -53.19 57.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 139' ' ' ALA . 49.0 m -35.67 -49.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.489 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 67.1 m-85 -77.23 -48.2 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.777 ' CE1' HD21 ' A' ' 101' ' ' LEU . 15.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' VAL . 34.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 16' ' ' LEU . 46.7 t -37.27 -44.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -38.19 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -54.24 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -52.91 -66.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD12 HG12 ' A' ' 12' ' ' VAL . 13.3 mt -43.02 -49.27 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -38.07 -45.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -69.78 -42.89 73.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.88 ' HB3' HD12 ' A' ' 62' ' ' ILE . 3.5 mp0 -52.75 -17.9 1.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 mt -91.5 -57.78 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.8 pt-20 -66.23 -30.13 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.493 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.18 -33.62 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.403 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 6.4 mtt -71.56 -38.54 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.629 HD22 HD11 ' A' ' 66' ' ' ILE . 13.8 mt -71.46 -45.17 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.09 -49.42 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -50.95 -38.36 50.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 mtm -72.64 -34.31 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' HZ ' HD13 ' A' ' 131' ' ' ILE . 23.5 m-85 -116.22 75.61 6.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.31 33.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.52 110.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -60.36 105.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -17.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.75 -57.74 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 64' ' ' PHE . 52.3 t -93.6 118.41 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 112.43 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.19 108.32 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -45.29 -23.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -167.61 114.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.53 -13.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -74.03 -12.82 60.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -29.24 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.3 mt -86.33 -39.58 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASN . 94.5 m -64.9 -60.93 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' THR . 33.1 m120 -36.43 -38.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' CG2' HD22 ' A' ' 16' ' ' LEU . 54.8 mt -64.1 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ILE . 52.8 mttt -37.33 -33.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -71.06 -49.32 45.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 1.5 t80 -65.95 -46.5 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -41.62 -32.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.77 -30.23 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 166.22 28.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.85 32.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 82' ' ' THR . 12.9 pttm -93.75 -176.99 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.88 HD12 ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.53 93.33 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.07 124.54 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD2' HG13 ' A' ' 36' ' ' VAL . 23.3 p90 -152.89 178.97 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.05 131.05 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.629 HD11 HD22 ' A' ' 26' ' ' LEU . 43.1 mt -106.84 129.98 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.544 HG23 ' HG3' ' A' ' 76' ' ' LYS . 98.9 m -86.76 116.68 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.523 HD11 HG23 ' A' ' 131' ' ' ILE . 4.2 mm? -92.23 98.47 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.02 74.9 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . 42.1 mm -45.58 104.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ILE . 12.5 mt-10 -37.05 -56.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.6 tt0 -149.74 125.76 5.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.72 157.53 91.84 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.361 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -72.95 97.05 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.04 174.54 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HG3' HG23 ' A' ' 67' ' ' THR . 7.7 ttpm? -120.47 133.53 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.6 mt -133.94 115.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.06 113.26 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 94' ' ' LEU . 14.6 tp -99.41 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -84.39 103.2 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -98.73 141.7 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 61' ' ' LYS . 10.2 m -141.15 108.25 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.435 ' HE3' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -104.15 103.69 39.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.28 46.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -49.42 -18.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' TYR . 50.1 m -83.02 -56.31 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -36.46 148.57 0.17 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.77 8.4 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.382 -0.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.481 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 33.8 m-85 -33.33 -42.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.977 HD23 ' N ' ' A' ' 91' ' ' ALA . 8.1 tt -99.92 156.97 16.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.977 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -77.61 105.34 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.5 pp -56.35 -179.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -126.29 115.3 19.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 79' ' ' LEU . 7.8 mt -113.21 148.28 35.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -151.29 108.88 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.48 132.03 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -145.83 138.08 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.7 p -139.27 146.17 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -49.17 -42.39 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.83 145.34 55.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.69 172.45 6.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.75 -63.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -51.05 -58.33 6.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 25.5 mm100 -46.24 -53.84 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -47.34 -56.94 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -38.6 -46.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.05 -47.42 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.28 -58.01 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -47.13 -67.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -48.27 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.55 -39.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.5 tp -73.9 -64.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.2 p -42.63 -41.48 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 t -70.7 -40.55 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 37.5 t80 -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.71 HG23 ' HB3' ' A' ' 126' ' ' CYS . 49.9 mm -71.54 -33.73 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -52.14 -19.82 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -71.38 -41.06 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.4 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -100.68 155.72 36.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.0 Cg_endo -69.73 104.1 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.03 -39.35 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -101.13 153.21 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.51 154.96 27.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.71 ' HB3' HG23 ' A' ' 117' ' ' ILE . 27.1 m -127.55 -36.02 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -57.13 -27.17 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 13.6 p -64.94 -32.21 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.45 -45.82 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.89 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 68' ' ' LEU . 95.5 mt -54.21 -69.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -49.47 -56.13 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.445 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 82.1 t90 -43.43 -46.58 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 135' ' ' GLN . 4.2 mt -60.0 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 134' ' ' LEU . 71.4 mt-30 -34.63 -55.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.14 -40.59 86.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 134' ' ' LEU . 66.0 m-80 -93.44 48.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.2 t -123.33 -54.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.57 80.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 m -59.02 -26.28 64.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 18.7 m-85 -84.56 -42.84 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.96 0.409 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 16' ' ' LEU . 25.5 t -36.86 -36.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -44.04 -53.7 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' GLN . 16.6 mt-10 -52.93 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' GLU . 56.2 p -36.61 -55.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.674 HD13 HG23 ' A' ' 47' ' ' ILE . 24.0 mt -64.76 -34.22 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 14' ' ' GLU . 1.2 tm0? -53.41 -43.27 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.66 HD23 HD21 ' A' ' 21' ' ' LEU . 15.0 mt -74.83 -12.9 60.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.72 ' HB3' HD12 ' A' ' 62' ' ' ILE . 72.1 mt-30 -83.99 -26.33 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.679 HD21 ' O ' ' A' ' 44' ' ' LEU . 31.5 mt -84.46 -31.91 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 22' ' ' GLU . 1.7 pp -77.12 -41.88 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.808 ' OE1' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -53.61 -38.56 64.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.42 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 89.6 mmm -48.37 -43.95 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.53 -47.65 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.445 ' HE3' HD11 ' A' ' 125' ' ' LEU . 8.0 mtt -59.54 -47.19 86.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.808 HD12 ' OE1' ' A' ' 22' ' ' GLU . 7.1 mt -59.71 -46.27 89.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 23' ' ' MET . 27.9 m-85 -61.95 -33.53 74.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -68.27 -43.91 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtm -65.13 -9.79 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 39.1 m-85 -122.1 94.71 47.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -43.51 2.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.288 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -54.01 124.06 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 20.8 mp0 -76.11 75.89 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 52.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 21.4 mt-10 -117.67 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 64' ' ' PHE . 31.0 t -68.68 119.76 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -104.47 101.8 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 64' ' ' PHE . 5.7 mt -91.79 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.14 -31.47 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 36.9 m-20 -140.9 115.98 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.88 -15.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -102.42 7.92 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . . . -63.58 -45.8 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.679 ' O ' HD21 ' A' ' 20' ' ' LEU . 1.6 mt -69.46 -48.57 60.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.465 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 11.4 m -59.63 -43.36 93.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -46.05 -26.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.674 HG23 HD13 ' A' ' 16' ' ' LEU . 15.5 mt -84.79 -29.3 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 45' ' ' THR . 9.2 mmmm -57.33 -39.69 76.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 18.0 mtp85 -68.65 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.65 -45.63 68.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.14 -37.04 61.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' ARG . 11.9 pt-20 -81.3 -24.79 36.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.765 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.765 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.8 159.25 54.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.54 5.74 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -43.24 156.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' A' ' 19' ' ' GLN . 52.5 mt -77.68 95.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.61 ' OE2' HG23 ' A' ' 82' ' ' THR . 3.0 tp10 -118.09 129.32 55.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.666 ' HB3' HD23 ' A' ' 38' ' ' LEU . 5.2 p90 -160.1 173.61 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -122.38 127.67 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.543 HD11 ' HE2' ' A' ' 64' ' ' PHE . 53.3 mt -106.52 124.9 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -83.98 114.29 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 131' ' ' ILE . 1.0 OUTLIER -81.48 96.95 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.66 69.81 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.5 mm -47.36 136.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 12.5 pt-20 -74.87 -50.65 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.462 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 13.7 tt0 -151.43 122.44 3.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.3 Cg_endo -69.77 144.07 75.64 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.322 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.1 82.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.54 171.2 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -116.15 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.4 mt -140.3 117.65 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.95 118.04 21.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.801 HD11 HD22 ' A' ' 94' ' ' LEU . 9.1 tp -112.14 105.74 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -80.75 111.84 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.555 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.5 p -103.44 121.03 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' OE2' ' A' ' 63' ' ' GLU . 2.7 m -119.25 114.19 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 110.47 49.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.433 ' CG ' HD21 ' A' ' 90' ' ' LEU . 54.1 Cg_endo -69.69 -169.16 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -84.09 7.12 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' TYR . 13.3 m -106.89 -58.3 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.82 149.92 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.75 -8.29 10.41 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.318 -0.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.3 m-30 -34.33 -50.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 90' ' ' LEU . 1.3 pp -104.85 -175.36 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.58 102.68 14.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 94' ' ' LEU . 4.6 pp -50.12 171.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.16 116.01 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.801 HD22 HD11 ' A' ' 79' ' ' LEU . 6.3 mt -114.83 153.9 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -149.32 109.47 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.52 116.4 4.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -144.39 147.25 33.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 p -139.31 140.99 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 t -47.15 -38.72 12.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.81 -56.54 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 105' ' ' GLN . 20.2 mt -59.02 140.9 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -87.61 164.05 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -48.46 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -48.62 -39.08 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.509 ' HB3' HD22 ' A' ' 101' ' ' LEU . 18.6 mm100 -65.25 -49.46 69.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.6 -49.83 45.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.23 -34.83 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.25 -43.19 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.705 HD12 ' CE1' ' A' ' 141' ' ' TYR . 5.5 tp -67.81 -59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -49.27 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -39.6 -47.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.05 96.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 114' ' ' THR . 7.3 tp -69.68 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LEU . 32.2 p -35.26 -55.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -63.77 -45.72 88.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.431 ' CZ ' ' CD1' ' A' ' 133' ' ' TRP . 56.9 t80 -51.15 -35.98 38.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.424 HD11 ' HB2' ' A' ' 130' ' ' ALA . 15.4 mm -81.68 -32.36 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.4 -14.3 56.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 71.8 p -81.82 -37.57 26.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 129' ' ' ALA . 13.1 m-85 -46.52 147.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.38 154.93 46.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.59 57.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.58 -37.85 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 11.0 pt-20 -100.62 170.79 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.445 HD11 ' HE3' ' A' ' 25' ' ' MET . 19.1 mt -79.93 155.99 27.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 m -126.2 -48.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.504 HG11 HD11 ' A' ' 26' ' ' LEU . 9.3 p -44.63 -41.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.437 ' N ' HG13 ' A' ' 127' ' ' VAL . 30.6 p -55.69 -37.46 68.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 120' ' ' PHE . . . -77.22 -49.79 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -37.96 -44.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.463 HG23 ' CD1' ' A' ' 68' ' ' LEU . 59.8 mt -57.73 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -41.76 -52.9 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.431 ' CD1' ' CZ ' ' A' ' 116' ' ' TYR . 76.5 t90 -50.22 -49.21 53.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 137' ' ' ASN . 4.3 mt -56.47 -61.63 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 134' ' ' LEU . 27.3 mt-30 -35.11 -56.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -69.03 -36.01 77.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' LEU . 71.4 m-80 -102.82 53.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -133.54 -54.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 139' ' ' ALA . 3.7 m -36.99 -47.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.705 ' CE1' HD12 ' A' ' 109' ' ' LEU . 38.1 m-85 -68.56 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' LYS . 98.1 t -38.24 -39.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' VAL . 42.0 mttp -34.75 -65.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' SER . 61.1 mm-40 -53.24 -54.2 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 p -36.13 -56.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -75.71 -34.2 60.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.43 -53.34 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.09 -14.93 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 15' ' ' SER . 34.2 mt-30 -86.49 -17.87 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.13 -37.08 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -75.39 -37.52 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.0 pp20? -64.86 -18.63 65.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mmm -73.88 -41.77 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.44 -48.79 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.522 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 8.1 ptp -55.92 -29.96 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.74 -49.92 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.2 m-85 -50.84 -43.46 59.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m -54.59 -42.59 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtm -60.66 -47.92 84.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' PHE . 32.7 m-85 -101.79 112.85 65.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.61 6.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -81.75 102.87 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -37.46 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -39.32 -48.03 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.85 -65.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' A' ' 64' ' ' PHE . 10.8 t -78.97 100.72 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -96.15 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mt -99.02 124.06 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.56 -34.7 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.02 128.33 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.21 -16.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -85.57 6.87 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.89 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.94 -40.83 75.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -63.21 -60.73 3.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -41.88 -36.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.489 HD11 HG13 ' A' ' 62' ' ' ILE . 93.4 mt -65.31 -51.22 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -53.65 -23.83 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -76.79 -43.89 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 4.0 t80 -61.12 -29.24 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.9 -53.32 58.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.02 -15.48 59.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.575 0.703 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.771 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.72 161.94 43.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 138.37 37.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -71.34 158.59 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 62' ' ' ILE . 89.1 mt -82.96 85.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.33 124.08 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.517 ' HE2' HD11 ' A' ' 66' ' ' ILE . 19.3 p90 -151.61 -178.44 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 80' ' ' GLN . 73.1 t -131.5 130.6 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' HE2' ' A' ' 64' ' ' PHE . 48.6 mt -107.79 125.62 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.737 HG23 ' HG2' ' A' ' 76' ' ' LYS . 73.0 m -86.79 97.38 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.3 mt -78.65 139.66 38.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.56 118.72 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLU . 33.4 mm -87.09 106.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' ILE . 13.2 pt-20 -33.89 -46.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.1 tt0 -160.05 122.79 1.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.669 0.747 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.8 148.84 87.64 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.386 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.29 83.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -126.22 167.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.737 ' HG2' HG23 ' A' ' 67' ' ' THR . 0.5 OUTLIER -107.35 137.07 46.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.2 mt -131.46 112.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -77.34 102.57 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.76 HD11 HD22 ' A' ' 94' ' ' LEU . 18.3 tp -90.18 97.54 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.494 ' HA ' HG22 ' A' ' 65' ' ' VAL . 13.5 mt-30 -75.48 103.25 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.541 HG23 HD21 ' A' ' 94' ' ' LEU . 1.8 p -97.95 143.97 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 m -140.05 104.99 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 2.1 mtt -101.26 103.24 25.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.827 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.05 11.56 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 17.5 m -111.08 -60.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.66 149.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.926 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.74 -22.77 9.42 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.299 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 45.0 m-85 -35.74 -47.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.52 HD23 ' C ' ' A' ' 90' ' ' LEU . 4.7 tt -97.59 150.46 21.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.492 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -71.93 95.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 93' ' ' GLN . 2.7 pp -51.95 175.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.625 ' N ' HD12 ' A' ' 92' ' ' LEU . 26.7 tp60 -118.48 143.94 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.76 HD22 HD11 ' A' ' 79' ' ' LEU . 7.3 mt -137.48 155.68 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.69 110.74 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.39 114.05 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 3.2 mmm180 -121.81 134.41 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 p -140.93 165.92 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -71.83 -35.89 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -66.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 101' ' ' LEU . 18.1 mt -40.91 147.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.02 -176.38 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -56.19 -59.0 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' GLN . 11.5 t-80 -55.88 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' HIS . 15.9 mt-30 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -49.55 -61.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -38.91 -45.44 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.64 -46.74 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.12 -64.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -45.01 -62.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -41.2 -54.24 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.58 -45.91 92.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' THR . 8.7 tp -65.18 -64.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.96 0.409 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . 21.0 p -37.37 -57.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.0 t -59.93 -45.88 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 31.6 t80 -50.66 -34.22 25.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.505 HG23 ' HB3' ' A' ' 126' ' ' CYS . 25.3 mm -82.64 -25.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.47 -17.13 61.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 78.6 p -78.14 -46.18 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.3 142.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.59 154.85 73.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.435 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.2 Cg_endo -69.76 153.26 69.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.34 -40.95 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 13.0 pt-20 -92.66 163.39 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.43 153.4 37.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.505 ' HB3' HG23 ' A' ' 117' ' ' ILE . 70.9 m -128.37 -40.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.19 -30.32 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 19.0 t -69.45 -29.02 66.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.37 -43.74 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -47.03 -50.07 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 60.7 mt -44.0 -57.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.13 -59.04 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.4 t90 -39.82 -43.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 135' ' ' GLN . 7.3 mt -65.4 -63.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 134' ' ' LEU . 30.7 mt-30 -35.77 -42.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.57 -44.17 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -92.09 50.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -127.73 -62.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.47 35.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.0 m -56.88 -27.36 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.53 -40.23 17.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.4 t -44.76 -37.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -41.28 -52.2 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -57.03 -64.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.05 -35.29 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -47.68 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.0 -34.44 77.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.844 ' HB3' HD12 ' A' ' 62' ' ' ILE . 1.8 mp0 -63.78 -18.9 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' LEU . 21.8 mt -87.16 -54.62 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.662 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.66 -36.51 64.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 26' ' ' LEU . 9.2 pt-20 -61.94 -18.88 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mmm -77.95 -65.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -45.87 -41.08 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.518 ' HE3' HD12 ' A' ' 21' ' ' LEU . 9.9 ptp -65.22 -38.56 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.636 HD23 ' CE ' ' A' ' 29' ' ' MET . 20.2 mt -71.32 -41.35 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -54.58 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.1 m -67.69 -22.55 65.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.636 ' CE ' HD23 ' A' ' 26' ' ' LEU . 13.6 mtm -77.96 -27.58 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -126.48 72.65 73.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.44 30.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' GLY . 6.6 m-20 -71.91 117.88 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.1 mt-30 35.12 33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 37.06 72.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -39.71 -33.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' ' 64' ' ' PHE . 14.4 t -75.16 108.81 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -100.72 114.03 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.8 109.24 21.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -56.47 -28.3 59.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.59 93.06 3.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -58.94 -16.6 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -98.39 20.42 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.91 -42.51 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.94 -45.11 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -59.63 -57.31 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -43.51 -44.56 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.8 -62.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -43.73 -41.51 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.25 -38.49 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -68.92 -32.55 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.7 -38.49 85.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.22 -3.73 57.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.86 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 155.97 64.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.49 21.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -49.84 177.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.844 HD12 ' HB3' ' A' ' 19' ' ' GLN . 84.3 mt -102.14 94.41 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -115.01 133.37 56.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.823 ' CD2' HG13 ' A' ' 36' ' ' VAL . 30.4 p90 -160.67 -179.48 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 79' ' ' LEU . 19.9 t -125.82 129.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.513 HD11 ' HE2' ' A' ' 64' ' ' PHE . 12.6 mt -106.55 128.0 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -86.79 107.25 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -79.24 109.54 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -84.56 78.61 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.87 105.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.36 -41.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -163.92 131.99 2.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.79 128.6 12.87 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.322 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 ttmt -46.9 103.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 142' ' ' PHE . 35.2 m -150.1 173.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -118.36 119.86 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.9 mt -119.17 118.9 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.53 109.01 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.915 HD11 HD22 ' A' ' 94' ' ' LEU . 10.3 tp -95.02 121.63 36.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -93.02 97.96 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -95.75 136.13 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -138.38 110.32 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.417 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -113.69 110.5 49.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -4.16 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' TYR . 2.6 m -95.66 -61.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CE2' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -33.87 149.91 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.68 -3.11 7.39 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.349 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.401 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 6.7 m-30 -38.4 -50.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 90' ' ' LEU . 1.9 pp -104.82 -175.02 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.15 106.93 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.648 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.5 pp -58.22 167.89 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -110.63 128.11 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.915 HD22 HD11 ' A' ' 79' ' ' LEU . 8.2 mt -123.54 151.68 42.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -138.67 112.38 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.88 110.98 3.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.74 139.17 43.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 t -139.91 131.42 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 p -49.92 -28.27 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -81.64 -39.09 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.87 171.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -122.0 176.11 5.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.37 -50.0 71.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -61.06 -47.88 84.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.53 -54.66 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -46.69 -56.0 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.14 -40.23 6.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.2 mt -72.57 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 141' ' ' TYR . 4.2 tp -64.49 -57.9 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -45.47 -62.18 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.67 -33.48 9.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.535 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.419 HD21 HD13 ' A' ' 94' ' ' LEU . 7.4 tp -79.25 -67.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.8 p -38.11 -52.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 -39.2 93.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 t80 -61.51 -43.0 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 117' ' ' ILE . 23.8 mm -75.35 -6.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.72 1.06 88.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 p -100.02 2.17 43.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.331 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.18 160.02 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.47 156.55 39.33 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.82 15.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.48 -35.69 2.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.1 pt-20 -108.26 162.25 14.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -74.15 154.79 38.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.88 -39.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.5 p -51.77 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 23.9 p -56.41 -32.19 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.87 -52.12 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.04 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.5 mt -52.24 -57.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.49 -60.3 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -38.55 -53.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 137' ' ' ASN . 5.7 mt -52.74 -58.12 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 134' ' ' LEU . 65.9 mt-30 -37.28 -58.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -71.39 -26.83 62.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 134' ' ' LEU . 29.8 m120 -102.04 50.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -132.94 -62.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -39.79 -39.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.1 t -57.92 -43.6 86.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.435 ' CE1' HD12 ' A' ' 109' ' ' LEU . 47.1 m-85 -75.21 -4.34 38.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 75' ' ' VAL . 6.5 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 16' ' ' LEU . 89.9 t -42.45 -28.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -48.36 -47.83 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' GLN . 5.5 mp0 -63.99 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 25.7 p -35.88 -46.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 12' ' ' VAL . 16.9 mt -76.82 -38.58 53.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG3' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -61.71 -58.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD12 ' HG3' ' A' ' 17' ' ' GLN . 9.4 mp -52.87 -32.44 44.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 62' ' ' ILE . 38.0 mt-30 -61.45 -22.52 65.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 47' ' ' ILE . 73.8 mt -83.69 -47.42 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.76 -32.06 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 125' ' ' LEU . 4.0 pt-20 -78.06 -32.85 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.85 -58.7 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.59 -35.92 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 19.8 mtm -69.63 -38.68 77.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD13 ' CZ ' ' A' ' 64' ' ' PHE . 19.7 mt -64.83 -45.33 86.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -54.62 -51.39 65.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 t -48.76 -52.31 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.1 mtm -56.34 -38.68 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -109.95 80.9 1.88 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.69 6.11 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -67.12 128.37 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.49 165.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.36 -47.61 3.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE1' ' CA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -40.76 -62.02 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.709 HG13 ' CD2' ' A' ' 64' ' ' PHE . 61.9 t -99.24 100.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -96.35 109.44 21.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.24 111.94 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -51.52 -29.02 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CG ' ' HB2' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -136.28 120.92 18.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.0 m -81.34 -16.53 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.01 8.09 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . . . -64.07 -48.1 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -67.76 -47.16 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.6 m -50.64 -51.55 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ARG . 86.7 m-20 -54.04 -54.42 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 HD21 ' A' ' 20' ' ' LEU . 69.5 mt -40.36 -50.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.48 -36.53 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 46' ' ' ASN . 30.3 mtp180 -70.14 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -91.98 -37.23 12.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.99 -39.37 93.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.573 0.702 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.83 156.16 63.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 129.03 16.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -57.95 162.14 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 19' ' ' GLN . 86.0 mt -89.93 105.6 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.47 127.23 46.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.709 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -153.59 178.16 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.26 126.33 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.578 HD11 ' HE2' ' A' ' 64' ' ' PHE . 63.6 mt -109.09 125.01 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -84.73 124.66 31.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.461 HD11 HG23 ' A' ' 131' ' ' ILE . 4.5 mm? -95.54 95.44 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.04 77.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.8 124.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.42 -53.14 61.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 7.7 tt0 -150.97 122.93 3.97 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.5 Cg_endo -69.75 154.58 93.3 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.347 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -75.96 90.92 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.3 m -135.38 176.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -119.2 137.07 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.81 108.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.73 108.57 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.936 HD11 HD22 ' A' ' 94' ' ' LEU . 25.6 tp -97.19 115.32 27.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.38 100.8 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.0 p -93.47 141.47 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -140.86 115.75 9.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.23 98.75 44.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.703 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 177.33 5.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.77 -7.59 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 58.7 m -91.88 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.71 149.92 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.3 Cg_endo -69.7 -25.56 7.91 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.318 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' PRO . 47.1 m-85 -33.85 -44.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 5.1 tt -101.83 148.92 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.96 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -61.73 177.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -117.02 130.42 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.936 HD22 HD11 ' A' ' 79' ' ' LEU . 10.0 mt -133.24 133.5 42.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.32 115.62 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.72 112.87 2.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -122.38 137.52 54.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -138.12 127.58 24.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -45.91 -49.97 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -53.51 -47.75 69.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 101' ' ' LEU . 13.1 mt -56.14 175.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.14 -178.42 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -73.09 -48.07 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.639 ' HA ' HD23 ' A' ' 107' ' ' LEU . 35.3 t60 -74.02 -25.05 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -77.54 -38.11 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -69.03 -54.15 16.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 107' ' ' LEU . 1.3 pp -45.1 -38.38 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 107' ' ' LEU . 33.0 mt -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 141' ' ' TYR . 6.0 tp -66.55 -63.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -43.12 -61.76 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -52.05 -45.73 64.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.68 72.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.533 HD13 ' HG ' ' A' ' 134' ' ' LEU . 7.5 tp -79.26 -48.99 13.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 119' ' ' THR . 68.4 m -68.4 -37.52 80.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -71.57 -38.31 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 130' ' ' ALA . 18.7 mm -75.02 -28.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.36 -15.94 70.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.53 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 115' ' ' SER . 72.0 p -73.52 -46.62 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 111.119 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -42.19 152.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.36 156.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.7 9.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.47 -19.69 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -118.87 173.3 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 22' ' ' GLU . 38.6 mt -80.07 154.73 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.617 ' HB3' HG23 ' A' ' 117' ' ' ILE . 62.0 m -124.32 -46.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.0 p -46.81 -32.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.41 -35.43 77.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.85 -51.81 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.7 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -40.16 -42.57 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 68' ' ' LEU . 96.3 mt -55.43 -70.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.85 -53.49 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -40.65 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.533 ' HG ' HD13 ' A' ' 113' ' ' LEU . 14.3 mt -40.21 -61.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -38.53 -64.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -59.11 -24.72 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' LEU . 25.2 m-80 -113.48 53.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -124.88 -51.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.62 82.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.0 m -43.65 -34.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.411 ' CE1' HD12 ' A' ' 109' ' ' LEU . 34.5 m-85 -86.25 -52.46 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.477 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 56.3 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 HD12 ' A' ' 16' ' ' LEU . 14.0 t -47.45 -20.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HE2' HD13 ' A' ' 51' ' ' LEU . 2.6 mtpm? -50.19 -62.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -64.05 -50.56 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.8 m -47.99 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.494 HD12 HG12 ' A' ' 12' ' ' VAL . 12.1 mt -55.06 -36.64 65.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -56.66 -33.74 66.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.54 -25.29 50.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.895 ' HB3' HD12 ' A' ' 62' ' ' ILE . 69.6 mt-30 -76.59 -20.96 56.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 20' ' ' LEU . 17.9 mt -85.39 -41.42 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -74.75 -38.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp20? -63.56 -28.54 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.96 -39.85 69.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.99 -53.79 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.528 ' HE3' HD11 ' A' ' 21' ' ' LEU . 6.1 mtt -47.93 -35.39 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.81 -51.09 24.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -53.88 -40.48 66.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.7 -44.97 95.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.7 mtm -64.8 -19.81 66.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -122.13 81.16 44.0 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -40.45 5.32 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.38 135.89 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.57 85.94 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.06 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -111.41 -63.6 1.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 64' ' ' PHE . 58.1 t -85.33 127.76 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -118.52 110.11 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.4 mt -94.76 99.58 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -40.31 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -154.39 116.26 4.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 42' ' ' ASN . 27.2 m -69.22 -44.87 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.495 ' N ' HG23 ' A' ' 41' ' ' VAL . 1.7 m-80 -57.32 -12.7 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.0 -45.26 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 44' ' ' LEU . 4.4 mt -61.94 -45.33 94.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ASN . 86.8 m -58.99 -61.61 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' THR . 18.0 m-80 -37.71 -33.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 16' ' ' LEU . 85.7 mt -70.53 -49.25 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -46.56 -41.69 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.68 -30.78 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 12' ' ' VAL . 9.4 t80 -65.56 -29.3 69.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' HE2' ' A' ' 13' ' ' LYS . 4.6 mm? -79.14 -9.44 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -107.02 -30.08 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.885 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.885 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.7 153.21 69.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.93 143.24 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.895 HD12 ' HB3' ' A' ' 19' ' ' GLN . 86.7 mt -68.24 108.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -128.12 126.86 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.76 ' O ' HG12 ' A' ' 81' ' ' VAL . 4.5 p90 -156.33 165.92 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.717 HG11 ' OD2' ' A' ' 78' ' ' ASP . 58.4 t -114.58 126.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.63 HD11 ' HE2' ' A' ' 64' ' ' PHE . 83.6 mt -106.37 125.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.666 HG23 ' HG3' ' A' ' 76' ' ' LYS . 8.2 m -85.16 99.47 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD21 HD22 ' A' ' 79' ' ' LEU . 4.5 mm? -66.84 93.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -75.39 79.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 135' ' ' GLN . 44.7 mm -50.51 138.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.35 -43.91 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 9.5 tt0 -162.08 121.36 1.43 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.82 148.18 86.34 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.31 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -73.41 93.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.492 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 20.3 m -136.37 172.24 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.666 ' HG3' HG23 ' A' ' 67' ' ' THR . 33.7 tttt -107.64 135.74 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.455 HG23 ' OG ' ' A' ' 98' ' ' SER . 70.1 mt -134.55 99.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.717 ' OD2' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -64.32 114.26 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 94' ' ' LEU . 4.6 tp -110.0 96.82 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -73.19 99.02 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 64' ' ' PHE . 7.9 p -93.63 151.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -142.19 120.48 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.423 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 29.9 mtt -110.49 98.5 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.82 -178.37 2.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -3.52 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 29.6 m -96.58 -62.15 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.31 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.942 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.79 -23.58 9.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 -0.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.455 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 43.6 m-85 -35.28 -46.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 4.8 tt -99.22 154.58 18.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -73.48 103.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.6 pp -57.2 177.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -119.75 125.73 49.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 79' ' ' LEU . 9.9 mt -127.26 137.1 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -140.52 110.97 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.485 ' H ' ' ND2' ' A' ' 110' ' ' ASN . . . -107.04 115.83 4.78 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -118.03 140.12 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.455 ' OG ' HG23 ' A' ' 77' ' ' ILE . 14.6 m -140.15 130.8 25.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -51.16 -36.71 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.76 -48.44 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 105' ' ' GLN . 81.8 mt -62.95 127.93 33.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.45 -179.2 6.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -47.51 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 105' ' ' GLN . 20.1 t60 -41.55 -55.05 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.485 ' HB3' HD22 ' A' ' 101' ' ' LEU . 1.1 mp0 -36.68 -53.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 108' ' ' LEU . 31.3 mt-30 -65.0 -50.58 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp -39.95 -29.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.9 mt -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.44 -59.43 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' ' 96' ' ' GLY . 24.0 m120 -58.83 -64.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -50.17 -55.17 16.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.89 -26.27 47.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.01 -59.99 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.5 p -38.64 -48.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -67.03 -48.1 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.461 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 43.8 t80 -51.64 -39.15 57.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 126' ' ' CYS . 30.2 mm -75.41 -20.12 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.07 -15.64 78.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -78.88 -10.01 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.62 154.39 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.15 149.61 38.93 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.567 0.698 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.455 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.3 Cg_endo -69.76 112.0 2.96 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 -36.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 12.6 pt-20 -97.4 165.94 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.14 152.88 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.513 ' HB3' HG23 ' A' ' 117' ' ' ILE . 27.3 m -124.6 -41.79 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.9 p -51.26 -30.16 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -62.89 -29.13 70.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.57 -46.72 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.52 -37.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.505 HG23 ' CD1' ' A' ' 68' ' ' LEU . 96.7 mt -61.49 -60.14 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.71 -51.52 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 74.3 t90 -47.01 -46.94 22.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.432 HD13 ' HG ' ' A' ' 68' ' ' LEU . 7.4 mt -58.64 -65.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 70' ' ' ILE . 51.1 mt-30 -46.51 -45.57 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -54.68 -55.22 32.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' TYR . 1.7 m-80 -106.97 55.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -104.92 -57.6 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.93 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -54.64 -20.93 9.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 137' ' ' ASN . 16.5 m-85 -90.44 -49.9 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.492 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 23.4 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 t -59.88 -32.11 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -44.65 -32.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLN . 8.8 mm-40 -78.5 -67.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' GLU . 45.7 p -38.37 -46.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.77 -38.62 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.7 tm0? -59.2 -38.2 79.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.75 -28.33 55.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 62' ' ' ILE . 46.2 mt-30 -68.39 -24.64 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.31 -53.87 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.693 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.3 pp -54.1 -40.2 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.605 ' N ' HD12 ' A' ' 21' ' ' LEU . 7.6 pt-20 -56.71 -34.22 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 81.5 mmm -52.87 -43.01 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.39 -37.08 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.422 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 9.6 mtt -70.97 -38.61 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.64 -48.18 56.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -55.66 -48.7 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -54.73 -45.4 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 41.4 mtm -59.88 -37.97 80.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -108.67 80.73 1.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -31.01 21.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -70.21 108.36 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -47.25 140.65 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 -43.64 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -44.97 -63.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG13 ' CD2' ' A' ' 64' ' ' PHE . 57.4 t -93.2 116.31 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -118.19 112.0 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 64' ' ' PHE . 12.7 mt -91.92 94.76 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -43.83 -33.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.91 90.29 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.23 -35.15 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -69.29 -12.19 61.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.84 63.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 38' ' ' LEU . 8.0 mt -53.82 -40.45 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ASN . 98.2 m -68.3 -59.61 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' THR . 4.6 m120 -36.46 -44.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.9 mt -57.26 -65.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -37.65 -41.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -59.14 -45.33 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' ILE . 31.5 t80 -70.19 -15.46 62.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.52 -41.76 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.81 -20.14 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.644 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.644 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.78 166.77 26.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.65 69.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.46 174.73 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.81 98.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -117.79 131.3 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.518 ' HB3' HD23 ' A' ' 38' ' ' LEU . 6.9 p90 -156.33 176.34 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.09 128.24 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.422 HD11 ' HE2' ' A' ' 64' ' ' PHE . 29.9 mt -107.24 126.62 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -88.41 121.11 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.9 mm? -91.12 101.08 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 77.21 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.6 mm -55.79 122.07 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.11 -44.28 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -167.85 133.47 1.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.75 131.77 20.27 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.37 0.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 8.9 ttmt -52.38 103.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 73' ' ' PRO . 22.5 m -143.16 -176.92 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -123.99 137.01 54.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.44 117.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.99 113.38 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.872 HD11 HD22 ' A' ' 94' ' ' LEU . 22.3 tp -102.12 101.76 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -79.99 95.11 6.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 127' ' ' VAL . 2.2 p -91.64 141.32 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -140.48 107.54 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.535 ' HB3' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -105.7 98.73 18.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.8 Cg_endo -69.73 166.17 28.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -47.97 -23.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 61.1 m -75.47 -66.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.22 149.33 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.694 0.759 . . . . 0.0 110.944 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -25.06 8.25 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.307 0.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -34.16 -43.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.5 tt -100.63 147.58 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.53 99.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 94' ' ' LEU . 4.0 pp -52.58 177.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.495 ' N ' HD12 ' A' ' 92' ' ' LEU . 32.9 tt0 -123.24 122.36 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.872 HD22 HD11 ' A' ' 79' ' ' LEU . 3.9 mt -120.83 147.64 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -145.67 124.55 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.64 138.16 14.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -138.2 135.47 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.596 ' HB3' HD12 ' A' ' 101' ' ' LEU . 32.1 t -140.54 118.67 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -38.14 -42.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.92 -63.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 98' ' ' SER . 95.4 mt -39.92 130.68 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -92.85 160.95 14.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' ASP . 15.9 tpt180 -34.78 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.459 ' NE2' HD11 ' A' ' 108' ' ' LEU . 54.2 t60 -39.55 -50.26 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.32 -70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -39.55 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -65.96 -53.97 32.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 104' ' ' HIS . 98.3 mt -59.74 -29.68 68.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.77 -46.74 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -69.43 -63.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -39.61 -46.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.48 91.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 5.9 tp -62.78 -57.01 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.3 p -40.89 -52.51 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.57 -50.41 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.407 ' CD1' ' CD1' ' A' ' 133' ' ' TRP . 61.0 t80 -51.92 -25.68 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 130' ' ' ALA . 35.9 mm -87.38 -36.26 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.29 -19.7 53.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 120' ' ' PHE . 36.9 p -67.18 -52.65 38.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 129' ' ' ALA . 12.2 m-85 -35.35 142.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.74 156.24 67.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.43 -50.69 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -86.87 162.23 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.2 mt -68.27 151.74 46.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.6 m -125.79 -36.4 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 81' ' ' VAL . 9.0 p -52.31 -36.69 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.7 t -55.71 -34.2 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 120' ' ' PHE . . . -75.8 -51.25 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -40.19 -40.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.78 -65.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.76 -56.91 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t90 -40.13 -62.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -46.19 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -44.34 -59.46 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.15 -44.05 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.19 59.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.4 t -107.4 -59.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -54.92 -45.59 74.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.7 t -41.11 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 m-85 -91.12 -49.46 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 101' ' ' LEU . 29.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 73.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.2 t -36.35 -41.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' O ' HD21 ' A' ' 51' ' ' LEU . 45.5 mttt -36.25 -53.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.47 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -42.31 -55.6 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.705 HD22 HG12 ' A' ' 47' ' ' ILE . 41.2 mt -57.44 -42.53 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' HB3' HD12 ' A' ' 18' ' ' LEU . 3.1 tm0? -49.11 -59.88 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 18' ' ' LEU . 6.2 mp -61.26 -38.08 85.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.779 ' HB3' HD12 ' A' ' 62' ' ' ILE . 15.8 mt-30 -53.9 -23.04 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.479 HD23 HD11 ' A' ' 62' ' ' ILE . 85.7 mt -90.16 -50.93 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.824 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -58.3 -29.61 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.649 ' OE1' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.53 -20.27 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' LEU . 87.5 mmm -78.02 -66.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -41.98 -33.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 14.5 ptp -76.94 -37.85 54.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.649 HD12 ' OE1' ' A' ' 22' ' ' GLU . 16.2 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.11 -39.32 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -73.87 -37.92 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.2 mtp -58.27 -39.8 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' HZ ' HD13 ' A' ' 131' ' ' ILE . 57.9 m-85 -106.29 94.86 10.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.49 37.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.41 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -50.62 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -108.06 -54.47 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' OE1' ' A' ' 35' ' ' GLU . . . -98.84 76.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -134.07 -48.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.403 . . . . 0.0 110.907 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.561 HG13 ' CD2' ' A' ' 64' ' ' PHE . 9.6 t -113.68 102.95 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -102.36 126.5 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.76 118.93 38.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.55 -29.88 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -167.18 109.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -53.98 -22.25 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -60.37 -23.92 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.01 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.72 -39.03 87.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ILE . 92.5 m -61.7 -67.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 59' ' ' PRO . 6.8 m120 -36.26 -32.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.705 HG12 HD22 ' A' ' 16' ' ' LEU . 48.8 mt -71.0 -58.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.25 -32.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -71.31 -53.97 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -52.62 -30.37 31.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 13' ' ' LYS . 12.6 mt -59.31 -42.42 91.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -30.08 25.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.835 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 126.55 13.41 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -47.41 162.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.779 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.6 mt -88.1 87.3 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.55 129.99 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' HG13 ' A' ' 36' ' ' VAL . 7.8 p90 -159.83 -179.88 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.8 t -121.77 126.31 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.456 HD11 ' HE2' ' A' ' 64' ' ' PHE . 33.1 mt -106.57 132.7 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.7 m -90.51 133.11 35.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.686 HD11 HG23 ' A' ' 131' ' ' ILE . 4.4 mm? -108.58 103.41 12.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -82.66 95.7 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 73' ' ' PRO . 18.7 mm -71.88 116.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -51.47 -65.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tp10 -133.98 119.25 14.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 177.17 29.74 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.378 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -96.01 99.29 11.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 21.3 m -144.98 176.1 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -118.85 127.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.57 113.44 25.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.796 HD11 HD22 ' A' ' 94' ' ' LEU . 4.4 tp -104.32 103.96 13.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' O ' HD23 ' A' ' 94' ' ' LEU . 4.2 mm100 -74.68 120.75 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.3 p -115.89 140.71 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 106.73 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.429 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -106.88 103.21 46.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.78 -166.28 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.36 10.8 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 38.1 m -110.34 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.58 150.03 0.11 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.666 0.746 . . . . 0.0 110.908 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -24.65 8.46 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.342 -0.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 29.0 m-85 -34.41 -44.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.1 tt -99.91 148.91 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.62 102.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -57.23 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' N ' HD12 ' A' ' 92' ' ' LEU . 36.5 tt0 -125.97 116.45 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 79' ' ' LEU . 8.9 mt -118.53 148.91 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -147.73 121.86 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.24 118.24 5.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -136.74 135.42 38.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 t -137.08 154.45 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -60.46 -47.59 85.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.34 -55.47 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 105' ' ' GLN . 54.0 mt -45.66 137.89 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -95.53 175.15 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -48.3 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.441 ' CD2' HD11 ' A' ' 108' ' ' LEU . 11.8 t60 -46.89 -53.33 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.548 ' HB3' HD22 ' A' ' 101' ' ' LEU . 6.7 mp0 -49.72 -55.73 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -49.36 -59.87 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.0 mt -47.57 -63.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 104' ' ' HIS . 59.4 mt -47.69 -51.19 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.96 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -39.66 -56.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.26 -50.68 58.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.522 HD11 ' HB1' ' A' ' 130' ' ' ALA . 13.2 tp -58.74 -64.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.2 p -37.94 -49.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 t -66.59 -48.92 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 29.5 t80 -49.18 -28.7 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 126' ' ' CYS . 26.4 mm -88.97 -23.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.47 -22.25 69.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -72.07 -20.94 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -67.09 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.98 155.12 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.546 0.689 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.438 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.6 Cg_endo -69.72 119.67 6.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.49 -42.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.546 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.4 pt-20 -99.0 178.15 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.84 153.34 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.662 ' HB3' HG23 ' A' ' 117' ' ' ILE . 10.0 m -125.47 -42.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.86 -23.9 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.49 -38.6 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.81 -52.06 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -38.85 -37.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.686 HG23 HD11 ' A' ' 68' ' ' LEU . 80.8 mt -60.74 -69.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -50.58 -42.9 56.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 89.2 t90 -55.16 -64.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 135' ' ' GLN . 10.5 mt -40.55 -56.2 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 134' ' ' LEU . 8.8 mt-30 -34.43 -63.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.39 -45.73 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -83.95 49.41 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 m -131.98 -55.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.99 -38.61 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 t -62.92 -38.08 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -68.28 -54.98 13.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.487 ' CE1' HD21 ' A' ' 101' ' ' LEU . 25.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.959 0.409 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 92.7 t -38.12 -43.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' VAL . 83.8 mttt -34.67 -50.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.9 -68.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -40.09 -64.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.9 mt -40.56 -43.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.67 -52.86 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 18' ' ' LEU . 6.5 mp -58.56 -21.47 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.831 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.8 mt-30 -82.35 -18.82 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD11 ' CG2' ' A' ' 47' ' ' ILE . 82.6 mt -92.21 -27.1 17.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -81.27 -32.96 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.637 ' OE1' HD22 ' A' ' 125' ' ' LEU . 10.7 pt-20 -75.69 -33.78 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.6 mmm -60.63 -57.67 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.87 -29.93 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.8 mtm -78.16 -24.91 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.5 -46.71 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -51.62 -51.13 58.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -58.06 -36.67 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.3 mtm -67.6 -23.68 65.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -121.74 83.79 42.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -39.34 6.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -41.31 108.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.84 95.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.77 41.67 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -109.14 -56.18 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' A' ' 64' ' ' PHE . 93.4 t -94.45 116.93 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' CG ' ' HB ' ' A' ' 65' ' ' VAL . 11.1 ptpt -106.48 118.59 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 64' ' ' PHE . 10.6 mt -103.67 125.8 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -62.31 -25.74 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -149.48 113.34 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.68 -19.63 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.1 m-80 -85.52 15.06 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.15 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.38 -45.94 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -58.18 -59.1 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 72.0 m-20 -39.76 -47.46 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.492 ' CG2' HD11 ' A' ' 20' ' ' LEU . 67.4 mt -54.2 -63.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.0 mtpt -38.02 -31.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 57.2 mtp180 -77.36 -42.61 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' ILE . 40.0 t80 -66.13 -12.46 55.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 48' ' ' LYS . 85.6 mt -86.85 -46.44 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.24 -24.91 67.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.677 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.79 158.15 57.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.81 22.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -53.51 160.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.0 mt -91.06 91.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.93 55.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.525 ' CD2' HG13 ' A' ' 36' ' ' VAL . 16.7 p90 -152.56 176.43 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.575 ' HB ' ' CG ' ' A' ' 37' ' ' LYS . 55.4 t -116.02 128.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.511 HD11 ' HE2' ' A' ' 64' ' ' PHE . 39.8 mt -108.32 131.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.6 m -92.42 120.56 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.7 102.44 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -75.51 71.95 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 mm -55.41 115.99 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.48 -57.16 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.0 tt0 -147.28 123.86 5.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.75 148.89 87.63 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.322 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -72.24 97.88 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.8 m -140.57 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -127.26 133.53 50.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.7 mt -133.4 125.96 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 115.71 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.604 HD11 HD22 ' A' ' 94' ' ' LEU . 13.3 tp -108.6 95.88 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -75.06 100.62 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.547 HG23 HD21 ' A' ' 94' ' ' LEU . 3.0 p -94.87 145.29 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -140.58 113.75 8.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.51 ' CE ' HG11 ' A' ' 127' ' ' VAL . 8.0 mtt -104.05 98.62 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.35 42.42 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -50.85 -17.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' TYR . 38.5 m -82.84 -64.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.695 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -35.09 149.11 0.11 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.732 0.777 . . . . 0.0 110.856 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.5 Cg_endo -69.75 -24.56 8.5 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.342 -0.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 5.6 m-85 -33.25 -43.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 91' ' ' ALA . 8.7 tt -100.59 154.82 18.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.769 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -74.54 92.65 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -46.12 173.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -119.42 121.76 40.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.604 HD22 HD11 ' A' ' 79' ' ' LEU . 7.9 mt -115.85 136.29 53.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -132.29 102.86 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.86 120.73 6.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -128.16 146.47 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -140.54 136.18 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.9 p -52.4 -45.03 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.23 -54.13 48.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 105' ' ' GLN . 65.7 mt -54.93 145.42 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -105.03 176.23 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -47.1 -53.49 12.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.68 -44.23 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.543 ' HB3' HD22 ' A' ' 101' ' ' LEU . 12.6 mm100 -65.65 -70.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 105' ' ' GLN . 23.0 mt-30 -35.61 -39.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.7 OUTLIER -66.25 -56.46 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.85 -45.99 71.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.54 -64.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -48.14 -56.82 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -52.57 -51.57 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.11 -41.25 92.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' TYR . 6.9 tp -69.74 -65.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LEU . 39.3 p -34.85 -48.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 119' ' ' THR . 14.1 m -64.72 -43.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 13.1 t80 -59.44 -25.48 64.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 130' ' ' ALA . 26.1 mm -91.2 -35.1 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.55 -7.05 9.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 115' ' ' SER . 22.3 p -92.06 -8.52 45.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -73.64 147.79 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.28 152.1 52.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.9 Cg_endo -69.77 131.8 21.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.34 -40.37 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.74 165.24 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.637 HD22 ' OE1' ' A' ' 22' ' ' GLU . 29.8 mt -76.46 152.37 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.6 m -127.51 -54.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.51 HG11 ' CE ' ' A' ' 83' ' ' MET . 10.0 p -43.25 -33.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 38.6 t -60.67 -40.63 92.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' ALA . . . -75.97 -50.58 14.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -37.5 -50.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.19 -65.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -54.8 -48.19 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.559 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.8 t90 -48.38 -50.93 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 79' ' ' LEU . 8.2 mt -55.24 -58.63 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 134' ' ' LEU . 32.6 mt-30 -34.81 -49.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.09 -45.27 42.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -90.04 38.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 m -125.62 -43.8 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.66 67.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 p -63.27 -19.19 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -85.94 -53.14 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 5.4 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.937 0.399 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -44.28 -41.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.897 ' HG2' HD23 ' A' ' 51' ' ' LEU . 12.4 mtmm -41.49 -59.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.98 -49.07 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 63.2 m -45.03 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.87 -40.07 83.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -49.46 -55.19 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.12 -24.41 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -80.15 -15.27 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 13.9 mt -82.77 -36.35 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -71.82 -36.08 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 25' ' ' MET . 22.2 pt-20 -68.43 -22.33 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.6 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -60.41 -34.49 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.23 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.495 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 9.0 ptp -46.2 -41.19 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.51 -46.92 87.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 23' ' ' MET . 18.2 m-85 -59.01 -49.57 77.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -56.66 -43.9 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 mtm -61.44 -17.07 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 131' ' ' ILE . 74.2 m-85 -127.02 85.12 61.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.59 18.27 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.43 157.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -103.15 110.84 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 32.45 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -98.76 -69.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.18 105.83 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -95.59 103.13 14.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -84.99 109.55 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -46.98 -33.78 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.787 ' CG ' ' HB2' ' A' ' 43' ' ' ALA . 10.7 p-10 -138.84 132.57 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.27 -32.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.4 p30 -79.14 2.38 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.787 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . . . -63.03 -39.79 95.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 44' ' ' LEU . 5.6 mt -69.41 -45.91 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.621 HG22 ' HD3' ' A' ' 49' ' ' ARG . 98.1 m -59.95 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 50.1 m-80 -33.77 -38.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.544 ' CD1' HD11 ' A' ' 62' ' ' ILE . 94.7 mt -63.76 -52.19 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' THR . 74.2 mttt -55.24 -59.04 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.621 ' HD3' HG22 ' A' ' 45' ' ' THR . 1.5 mpt_? -44.74 -52.94 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' GLY . 1.2 t80 -54.54 -51.44 65.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.897 HD23 ' HG2' ' A' ' 13' ' ' LYS . 11.2 mt -46.2 -21.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -30.18 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.776 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.732 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.776 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 154.29 67.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.76 134.42 27.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.31 150.87 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 47' ' ' ILE . 82.1 mt -79.3 88.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.07 126.56 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CE1' HG11 ' A' ' 81' ' ' VAL . 17.9 p90 -151.67 179.93 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG22 ' OE1' ' A' ' 80' ' ' GLN . 21.7 t -127.34 126.54 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.53 124.94 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.1 m -76.95 121.96 24.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.54 94.22 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.03 78.96 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.55 115.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -44.94 -42.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -165.86 131.25 1.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.2 Cg_endo -69.72 127.93 11.66 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.307 -0.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 1.3 tppt? -49.69 91.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' PRO . 34.7 m -134.18 -176.77 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -123.53 128.51 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.4 mt -129.72 99.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 113.62 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD11 HD22 ' A' ' 94' ' ' LEU . 15.1 tp -104.16 109.56 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.483 ' OE1' HG22 ' A' ' 65' ' ' VAL . 31.6 mm-40 -90.58 102.15 14.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 94' ' ' LEU . 1.3 p -92.01 144.41 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 m -136.86 106.78 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.403 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -106.83 98.65 21.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.242 . . . . 0.0 112.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.438 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -73.97 -1.1 18.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 25.5 m -97.38 -62.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.79 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -34.18 147.5 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.739 . . . . 0.0 110.936 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 52.8 Cg_endo -69.8 -24.89 8.35 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.314 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.5 m-85 -33.93 -42.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 2.7 tt -101.61 149.74 23.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.46 94.79 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.79 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -48.99 177.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -127.48 122.49 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD22 HD11 ' A' ' 79' ' ' LEU . 5.5 mt -114.29 147.69 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.15 109.91 6.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.01 114.35 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.4 ptt85 -134.91 147.38 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -140.95 148.34 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.8 p -48.02 -39.01 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.01 -37.07 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 101' ' ' LEU . 12.1 mt -77.97 125.51 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -88.16 176.94 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -58.28 -37.76 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.605 ' HA ' HD23 ' A' ' 107' ' ' LEU . 72.1 t60 -65.58 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 108' ' ' LEU . 18.0 mt-30 -41.66 -41.85 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.06 -47.23 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 104' ' ' HIS . 0.6 OUTLIER -55.58 -40.39 71.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 105' ' ' GLN . 12.1 mt -66.98 -53.1 34.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.477 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 7.7 tp -53.05 -54.57 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' GLY . 29.7 m-80 -56.9 -65.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -40.09 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -83.23 -40.15 9.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.636 HD21 HD13 ' A' ' 94' ' ' LEU . 3.3 tp -74.72 -55.57 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 20.6 p -34.91 -59.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 119' ' ' THR . 19.1 m -55.93 -57.66 11.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.48 -31.86 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.787 HG23 ' HB3' ' A' ' 126' ' ' CYS . 16.2 mm -81.64 -33.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.18 -5.49 89.61 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 115' ' ' SER . 80.7 p -78.1 -12.91 60.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -75.72 -177.38 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.7 160.13 29.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.15 -20.99 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.93 170.74 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 21' ' ' LEU . 47.2 mt -95.91 142.02 28.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.787 ' HB3' HG23 ' A' ' 117' ' ' ILE . 56.3 m -115.57 -48.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -41.22 -34.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.58 -40.85 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 126' ' ' CYS . . . -76.83 -45.36 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.607 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -39.47 -50.92 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.413 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 94.7 mt -53.1 -74.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -44.42 -55.55 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 86.8 t90 -44.67 -54.35 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.69 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -42.32 -55.97 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.22 -37.82 78.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -112.48 62.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.5 t -125.54 -46.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.72 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.3 t -44.55 -33.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 109' ' ' LEU . 12.3 m-85 -80.2 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' VAL . 75.6 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.943 0.401 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 87.5 t -36.72 -36.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' CG ' HD23 ' A' ' 51' ' ' LEU . 17.2 mtmm -44.42 -56.3 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' SER . 10.0 mm-40 -54.49 -66.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.2 p -36.21 -60.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.86 -34.03 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.543 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -61.38 -56.17 23.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.22 -26.19 50.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.709 ' HB3' HD12 ' A' ' 62' ' ' ILE . 75.0 mt-30 -70.39 -15.26 62.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.7 mt -88.76 -44.2 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -60.21 -33.93 72.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.82 -32.43 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.15 -45.33 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 25' ' ' MET . 8.6 pt-20 -70.02 -42.69 72.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.409 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 14.8 mtm -60.57 -34.0 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.12 -51.23 48.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -51.33 -43.94 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -58.24 -41.54 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 mtm -71.52 -20.17 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 76.6 m-85 -118.97 84.67 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.0 4.64 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.0 134.42 57.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.76 -41.45 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.46 56.96 4.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -128.8 -65.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 64' ' ' PHE . 95.9 t -104.98 121.71 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -113.34 118.19 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 64' ' ' PHE . 13.7 mt -112.64 109.73 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -40.02 -37.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -150.52 126.28 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.57 -15.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -72.44 -10.28 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.79 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.43 HD21 ' SD ' ' A' ' 23' ' ' MET . 9.4 mt -72.27 -36.48 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.3 m -65.76 -57.71 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -38.6 -45.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' TYR . 93.0 mt -56.44 -62.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -39.62 -44.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -62.78 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.7 t80 -60.89 -52.36 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.524 HD23 ' CG ' ' A' ' 13' ' ' LYS . 50.6 mt -47.37 -35.08 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.66 -29.91 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.645 0.736 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.8 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 152.25 69.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -49.41 173.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 19' ' ' GLN . 79.8 mt -101.09 95.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -116.78 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.565 ' HD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -153.64 -177.99 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.6 t -129.1 126.53 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.71 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 47.5 mt -107.55 137.2 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 76' ' ' LYS . 79.3 m -93.81 116.03 28.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.429 HD21 HD22 ' A' ' 79' ' ' LEU . 4.5 mm? -81.18 93.39 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -74.44 86.7 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.6 mm -64.44 106.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -39.63 -47.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.8 tt0 -160.91 125.26 2.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.73 148.11 85.99 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 -1.816 . . . . 0.0 112.367 -0.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.57 101.14 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.11 172.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HG3' HG23 ' A' ' 67' ' ' THR . 13.3 ttmt -114.6 131.5 56.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.2 mt -135.32 112.45 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.86 117.76 18.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.834 HD11 HD22 ' A' ' 94' ' ' LEU . 10.8 tp -105.46 106.19 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -81.2 97.5 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 94' ' ' LEU . 5.2 p -94.12 143.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.9 m -136.04 118.21 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.445 ' CE ' HG11 ' A' ' 127' ' ' VAL . 12.4 mtt -111.26 98.59 40.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.521 0.677 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.7 173.03 11.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -2.69 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.473 ' CB ' HD23 ' A' ' 90' ' ' LEU . 3.2 m -95.83 -63.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.04 149.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.715 0.769 . . . . 0.0 110.873 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.8 Cg_endo -69.79 -4.31 8.26 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -38.92 -51.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 90' ' ' LEU . 2.8 pp -104.96 -174.15 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.612 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -96.86 100.42 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.4 pp -45.67 171.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -117.3 119.0 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.834 HD22 HD11 ' A' ' 79' ' ' LEU . 9.2 mt -117.72 142.18 47.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -146.34 114.66 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.83 119.57 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.26 138.19 52.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -140.2 163.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -83.75 -43.11 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.92 -34.68 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.45 151.31 46.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ARG . 9.3 m-20 -112.09 157.3 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 19.8 ttp-105 -37.09 -63.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -45.85 -58.72 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LEU . 9.2 mm100 -51.5 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' GLN . 22.6 mt-30 -36.75 -50.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.0 -43.0 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLN . 36.5 mt -65.74 -50.87 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.1 -59.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -54.48 -65.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -44.02 -50.45 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.3 -43.25 98.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.28 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.9 p -40.5 -54.12 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -60.42 -43.16 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.35 -37.53 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' A' ' 126' ' ' CYS . 47.6 mm -79.63 -29.9 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.08 52.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.7 p -71.35 -47.19 57.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -40.43 148.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.05 157.88 37.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 151.29 68.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.13 -41.8 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -97.58 168.28 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.17 148.58 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.529 ' HB3' HG23 ' A' ' 117' ' ' ILE . 56.4 m -122.24 -43.14 2.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.445 HG11 ' CE ' ' A' ' 83' ' ' MET . 5.2 p -47.96 -30.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.89 -39.69 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -45.37 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -43.34 -52.15 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 61.5 mt -43.26 -61.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -59.0 -45.86 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -52.45 -41.32 63.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 79' ' ' LEU . 6.2 mt -65.74 -62.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 134' ' ' LEU . 66.0 mt-30 -36.52 -49.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.56 -55.97 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -81.81 47.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 m -130.69 -60.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.91 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -59.89 -45.75 91.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -51.7 -42.2 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' LYS . 66.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 11' ' ' SER . 25.3 t -35.72 -30.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' SER . 57.0 mttp -37.92 -55.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -51.6 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 16' ' ' LEU . 5.0 p -43.08 -58.74 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.621 HD13 HG23 ' A' ' 47' ' ' ILE . 14.5 mt -53.86 -34.43 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -64.35 -53.68 44.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.88 -15.78 56.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.537 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.5 mt-30 -85.14 -16.4 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.5 -50.87 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.52 -39.5 91.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.572 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.7 pt-20 -54.88 -36.12 64.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.1 mmm -52.71 -50.28 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.76 -37.19 63.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.7 mtt -70.78 -39.73 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.82 -35.82 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.71 -38.38 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -65.36 -38.69 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.5 mtp -69.01 -25.45 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 131' ' ' ILE . 64.8 m-85 -117.39 81.41 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.42 20.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 m120 -65.9 92.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -45.6 90.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 163.64 -49.82 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -38.04 -56.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 64' ' ' PHE . 75.7 t -85.46 103.82 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -97.09 110.87 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.68 119.82 30.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.81 -32.86 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -152.73 130.13 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 m -70.63 -12.17 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -98.47 10.97 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.15 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD2' HG12 ' A' ' 62' ' ' ILE . 5.2 mt -80.76 -42.92 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -58.93 -55.59 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -45.75 -30.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.621 HG23 HD13 ' A' ' 16' ' ' LEU . 89.1 mt -78.19 -43.36 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.37 -38.77 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -67.72 -24.63 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 5.3 t80 -75.26 -35.42 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.48 -44.29 97.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.62 -27.62 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.666 0.746 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.9 4.78 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -52.98 176.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 19' ' ' GLN . 34.0 mt -94.7 98.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -120.15 124.34 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.522 ' HE2' HD11 ' A' ' 66' ' ' ILE . 2.7 p90 -149.18 179.95 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -121.01 124.46 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.522 HD11 ' HE2' ' A' ' 64' ' ' PHE . 32.5 mt -106.54 128.22 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.8 m -88.09 133.47 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.428 HD12 ' CG ' ' A' ' 135' ' ' GLN . 4.3 mm? -99.78 108.23 20.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.14 77.94 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.459 ' N ' HD13 ' A' ' 70' ' ' ILE . 4.8 mm -57.28 122.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.57 -51.71 68.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 tt0 -155.98 123.92 2.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 151.31 91.28 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.34 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.99 97.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.16 172.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -120.61 133.96 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -132.6 104.76 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 113.5 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.946 HD11 HD22 ' A' ' 94' ' ' LEU . 20.7 tp -105.28 124.48 49.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -97.8 100.05 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.543 HG23 HD21 ' A' ' 94' ' ' LEU . 2.2 p -90.7 127.61 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -129.35 96.82 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.511 ' HE1' HG21 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -84.0 117.92 69.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.424 ' HG2' HD11 ' A' ' 90' ' ' LEU . 53.9 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -97.01 9.22 42.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.605 ' CB ' HD12 ' A' ' 90' ' ' LEU . 28.2 m -113.35 -54.75 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.81 150.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.703 0.763 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.76 -5.2 8.75 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.5 m-30 -34.34 -44.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.674 HD22 ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -128.98 173.72 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.674 ' N ' HD22 ' A' ' 90' ' ' LEU . . . -74.23 114.43 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.591 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -62.95 -174.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -107.38 135.4 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 79' ' ' LEU . 11.5 mt -140.34 142.65 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -149.53 113.37 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.18 120.67 6.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -113.44 134.6 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -139.39 152.94 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.5 p -74.89 -36.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.24 -52.36 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 61.1 mt -51.07 146.85 5.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -109.45 164.29 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -43.39 -53.96 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.79 -65.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLN . 10.9 mm100 -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 105' ' ' GLN . 1.1 tt0 -34.41 -59.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.84 -57.13 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -48.83 -55.09 12.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -57.63 9.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -52.53 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -43.17 -53.24 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.03 -34.07 77.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.44 -60.59 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.5 p -42.96 -61.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.1 t -49.82 -50.97 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 133' ' ' TRP . 18.4 t80 -52.32 -29.24 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 126' ' ' CYS . 23.5 mm -85.25 -18.12 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.08 -11.99 84.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.3 p -76.34 -35.39 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.35 156.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.96 156.96 41.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 105.42 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.17 -45.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.3 mm-40 -79.67 176.8 9.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.64 142.18 28.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.638 ' HB3' HG23 ' A' ' 117' ' ' ILE . 77.1 m -115.69 -40.25 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.511 HG21 ' HE1' ' A' ' 83' ' ' MET . 11.3 p -51.88 -29.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.05 -24.21 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.13 -28.18 18.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.28 74.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 96.3 mt -65.14 -65.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -53.97 -37.64 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.442 ' CD1' ' CE2' ' A' ' 116' ' ' TYR . 88.7 t90 -61.35 -46.22 91.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' SER . 8.0 mt -59.05 -56.24 24.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.428 ' CG ' HD12 ' A' ' 68' ' ' LEU . 45.4 mt-30 -51.66 -53.66 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.69 -36.79 84.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -111.74 43.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.1 t -107.74 -55.54 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' PHE . . . -52.0 -49.23 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.7 t -42.29 -38.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -79.97 -30.81 39.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.495 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 26.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 52.7 t -50.26 -44.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' VAL . 47.4 mttt -36.71 -53.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -52.3 -67.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -38.46 -63.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.778 HD13 HG23 ' A' ' 47' ' ' ILE . 46.7 mt -45.16 -37.21 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -45.15 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 18' ' ' LEU . 4.0 mp -74.13 -23.06 59.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.665 ' OE1' HD23 ' A' ' 16' ' ' LEU . 10.7 mt-30 -69.64 -30.06 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 62' ' ' ILE . 46.3 mt -88.66 -23.75 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.2 mt -62.13 -58.02 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.907 ' OE1' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -47.07 -39.07 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 55.6 mmm -44.53 -51.7 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.92 -41.18 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 29.0 mtt -70.87 -65.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.907 HD12 ' OE1' ' A' ' 22' ' ' GLU . 75.0 mt -41.98 -44.96 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 23' ' ' MET . 9.3 m-85 -57.81 -47.19 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -62.99 -38.27 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.2 mtm -71.01 -26.49 63.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -126.46 80.48 69.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.54 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 32.2 m-20 -49.76 118.07 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 92.36 -38.61 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.438 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.8 mm-40 -36.13 -71.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.662 HG13 ' CD2' ' A' ' 64' ' ' PHE . 53.8 t -90.89 89.65 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -73.86 112.1 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.56 119.01 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -48.94 -36.49 17.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -146.88 129.29 15.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 m -71.83 -14.3 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.78 14.23 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.65 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.4 -54.37 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.7 m -50.24 -52.98 31.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -44.11 -43.4 6.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.778 HG23 HD13 ' A' ' 16' ' ' LEU . 69.6 mt -62.38 -49.17 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.9 mttp -48.04 -41.58 26.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -64.98 -31.95 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 21.6 t80 -78.31 -13.5 59.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 48' ' ' LYS . 71.7 mt -86.21 -7.23 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.68 -22.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.546 HD22 ' HD2' ' A' ' 59' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.555 0.693 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD2' HD22 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.76 160.14 50.79 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.11 17.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -52.16 170.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.623 HD11 HD23 ' A' ' 20' ' ' LEU . 37.7 mt -93.1 95.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.94 126.05 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.662 ' CD2' HG13 ' A' ' 36' ' ' VAL . 44.6 p90 -154.01 -179.98 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -130.89 135.01 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.9 mt -107.48 135.8 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.0 m -95.63 107.9 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.94 111.32 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.46 81.76 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.7 mm -61.67 118.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.09 -45.04 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 pm0 -161.44 130.78 3.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' VAL . 54.1 Cg_endo -69.73 127.71 11.31 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.397 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 2.8 tppt? -45.85 90.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 73' ' ' PRO . 28.2 m -141.72 154.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -97.97 132.68 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.1 mt -129.47 115.52 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.75 119.09 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 94' ' ' LEU . 8.4 tp -110.43 105.37 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.9 116.31 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.9 p -110.64 127.68 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 m -127.13 99.0 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 87' ' ' TYR . 1.7 mtm -102.07 110.59 62.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.77 -165.88 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -82.94 -4.69 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 25.9 m -90.15 -58.58 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.654 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -37.06 150.14 0.15 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.678 0.751 . . . . 0.0 110.926 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.81 8.38 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.321 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 15.5 m-85 -34.08 -45.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 5.2 tt -100.87 150.52 22.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -70.54 113.83 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.3 pp -69.42 179.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.476 ' N ' HD12 ' A' ' 92' ' ' LEU . 6.6 tp60 -121.49 123.93 43.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 79' ' ' LEU . 8.3 mt -126.04 123.42 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.71 119.91 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.76 133.43 11.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -133.83 137.86 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 101' ' ' LEU . 44.1 t -138.43 145.41 40.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 m -76.12 -8.21 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -101.42 -46.08 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.739 HD21 ' CE1' ' A' ' 142' ' ' PHE . 15.1 mt -65.68 148.86 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -98.51 172.98 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.541 ' O ' HD23 ' A' ' 107' ' ' LEU . 29.4 ttm180 -52.94 -61.88 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -48.2 -52.3 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -54.53 -60.31 3.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -38.74 -57.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 103' ' ' ARG . 4.3 mm? -39.47 -47.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.78 -54.07 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.68 -61.22 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -48.22 -61.41 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HE3' HD12 ' A' ' 107' ' ' LEU . 34.9 mttt -43.38 -56.32 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.14 62.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 11.2 tp -68.83 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.92 0.39 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.3 p -37.91 -46.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -70.03 -43.39 71.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.475 ' CD2' ' CD1' ' A' ' 133' ' ' TRP . 42.8 t80 -57.02 -19.63 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' A' ' 126' ' ' CYS . 36.5 mm -97.24 -12.26 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.92 6.02 68.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.3 p -102.13 -14.15 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -68.9 160.23 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.71 153.31 37.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.68 3.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.61 -39.07 1.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.05 164.71 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.06 152.22 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' A' ' 117' ' ' ILE . 33.8 m -124.29 -28.05 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.5 p -63.48 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.48 -34.04 77.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.31 -45.54 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.24 -47.6 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.42 HD11 ' CD2' ' A' ' 26' ' ' LEU . 72.4 mt -48.41 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -55.41 -58.3 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.475 ' CD1' ' CD2' ' A' ' 116' ' ' TYR . 44.0 t90 -38.83 -44.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.664 HD11 HD13 ' A' ' 79' ' ' LEU . 6.7 mt -59.7 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' LEU . 28.1 mt-30 -36.22 -55.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.42 -46.83 78.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.45 54.3 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -131.5 -66.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -40.62 -54.38 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 t -44.68 -43.05 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.77 -36.74 83.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.739 ' CE1' HD21 ' A' ' 101' ' ' LEU . 18.1 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.526 HG12 HD12 ' A' ' 16' ' ' LEU . 46.8 t -45.95 -25.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -44.05 -64.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -38.54 -65.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 12' ' ' VAL . 17.9 mt -49.28 -55.89 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.82 -51.18 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.8 mt -52.02 -35.82 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.9 mt-30 -62.33 -42.38 99.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.52 -30.28 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.3 mt -61.36 -55.62 29.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.762 ' HB3' HD13 ' A' ' 125' ' ' LEU . 2.8 pt-20 -56.83 -33.26 66.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 80.6 mmm -57.56 -56.83 16.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.24 -21.07 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.3 mtt -88.04 -28.81 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD11 ' OE1' ' A' ' 22' ' ' GLU . 11.0 mt -76.3 -40.86 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -55.62 -53.21 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -34.94 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -68.5 -32.22 72.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -118.11 80.79 15.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.41 93.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -38.9 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.85 -44.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.31 -65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.59 HG13 ' CD2' ' A' ' 64' ' ' PHE . 91.2 t -90.33 128.94 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -118.05 111.53 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.96 104.54 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -43.22 -35.92 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.65 109.22 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 m -58.17 -17.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -68.79 -14.0 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 -45.96 80.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.9 mt -66.47 -39.65 88.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -63.85 -56.95 11.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -44.09 -30.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' ARG . 69.4 mt -71.8 -62.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 51' ' ' LEU . 29.2 mttm -38.73 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' ILE . 93.2 mtt-85 -68.94 -53.58 20.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.3 t80 -50.66 -45.86 58.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 48' ' ' LYS . 14.7 mt -44.45 -32.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -30.13 20.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.828 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.828 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.73 158.92 55.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -45.68 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 19' ' ' GLN . 88.6 mt -95.97 100.17 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -123.19 124.18 42.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.6 p90 -149.56 -179.06 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 t -124.06 124.98 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.56 HD11 ' HE2' ' A' ' 64' ' ' PHE . 23.3 mt -107.32 125.53 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -89.75 106.82 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 131' ' ' ILE . 4.4 mm? -70.97 98.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -72.6 81.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.6 mm -66.88 109.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -47.15 -47.15 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.7 pt-20 -158.47 131.92 4.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.3 Cg_endo -69.74 128.33 12.36 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.364 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 tptt -48.16 94.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.405 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 32.8 m -140.59 176.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -119.52 133.21 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -131.8 110.46 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.86 108.59 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.829 HD11 HD22 ' A' ' 94' ' ' LEU . 5.6 tp -102.12 116.12 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.96 105.57 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.6 p -96.32 127.95 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 m -125.55 102.51 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.509 ' HE3' ' OE2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -97.14 114.91 65.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.825 ' CG ' HD23 ' A' ' 90' ' ' LEU . 54.3 Cg_endo -69.68 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -81.93 -29.84 32.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 1.5 m -77.03 -45.39 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.562 ' HA ' ' C ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -35.01 146.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.6 Cg_endo -69.82 -28.07 6.5 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.339 -0.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 22.2 m-85 -34.07 -40.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.825 HD23 ' CG ' ' A' ' 84' ' ' PRO . 6.0 tp -99.19 156.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' HG ' ' A' ' 90' ' ' LEU . . . -77.66 120.9 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.4 pp -76.92 -174.85 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.513 ' N ' HD12 ' A' ' 92' ' ' LEU . 13.0 tt0 -131.27 118.78 20.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.829 HD22 HD11 ' A' ' 79' ' ' LEU . 6.3 mt -117.99 147.14 43.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -144.66 114.8 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.37 121.42 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -145.35 138.55 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.411 ' HB3' HD12 ' A' ' 101' ' ' LEU . 33.3 t -128.64 163.04 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -63.51 -49.28 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.04 -56.28 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 98' ' ' SER . 39.5 mt -41.36 135.21 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.89 171.28 8.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -48.03 -66.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -44.35 -48.55 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -55.75 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' GLN . 24.7 mt-30 -36.91 -53.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.37 -50.91 64.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.86 -55.03 40.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.44 -57.16 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -57.17 -63.35 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -42.38 -51.11 5.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.43 90.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 130' ' ' ALA . 16.0 tp -63.43 -68.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LEU . 6.1 p -35.37 -58.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 t -60.81 -40.24 91.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 42.9 t80 -63.38 -21.33 66.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' A' ' 130' ' ' ALA . 40.6 mm -92.17 -14.04 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.85 17.51 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 14.53 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -99.81 152.76 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 147.42 65.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.62 17.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.44 ' CA ' ' HG2' ' A' ' 88' ' ' PRO . . . 117.43 -29.66 6.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -98.38 159.02 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' A' ' 22' ' ' GLU . 15.2 mt -69.26 152.96 44.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.3 m -128.2 -43.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 128' ' ' CYS . 10.3 p -49.4 -44.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.504 ' N ' HG13 ' A' ' 127' ' ' VAL . 16.9 m -53.51 -27.94 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.89 -39.13 18.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -55.17 -45.38 75.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 68' ' ' LEU . 96.1 mt -51.12 -59.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.16 -44.41 95.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.26 -36.47 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 138' ' ' SER . 4.7 mt -72.15 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -40.64 -55.77 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.61 -47.54 83.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -99.7 44.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 134' ' ' LEU . 13.8 t -106.29 -51.87 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -67.6 -43.99 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.047 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 21.0 m -41.58 -24.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 139' ' ' ALA . 37.4 m-85 -85.77 -51.99 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.405 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 27.3 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' VAL . 48.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.725 HG12 ' CD1' ' A' ' 16' ' ' LEU . 84.0 t -33.94 -42.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB3' HD23 ' A' ' 51' ' ' LEU . 37.9 mtmt -37.3 -49.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.52 -55.37 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 m -49.76 -52.15 33.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.725 ' CD1' HG12 ' A' ' 12' ' ' VAL . 23.1 mt -59.73 -43.37 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -44.97 -49.57 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.08 -25.58 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 69.4 mt-30 -82.09 -23.43 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.708 HD11 HG22 ' A' ' 47' ' ' ILE . 32.7 mt -81.52 -37.73 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -74.23 -42.56 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.631 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.5 pt-20 -56.65 -33.92 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 62.8 mmm -56.42 -26.45 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -82.83 -50.09 9.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.48 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 11.1 ptp -59.63 -26.73 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.08 -48.77 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 23' ' ' MET . 10.9 m-85 -55.04 -55.22 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -44.31 -44.59 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtp -60.34 -39.95 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 64.9 m-85 -105.13 96.48 11.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.72 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -53.91 105.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -59.95 129.54 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.95 -40.25 1.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -40.78 -56.16 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.931 HG13 ' CD2' ' A' ' 64' ' ' PHE . 94.1 t -83.09 103.4 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -87.2 103.18 15.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 64' ' ' PHE . 16.4 mt -87.07 104.37 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -45.31 -38.69 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -136.89 116.37 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.29 -32.85 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -84.48 28.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.11 -42.19 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.75 -50.82 31.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -47.29 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -42.85 -62.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.708 HG22 HD11 ' A' ' 20' ' ' LEU . 77.1 mt -40.01 -58.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -45.04 -44.19 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -41.92 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 53.0 t80 -55.57 -44.94 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 13' ' ' LYS . 37.5 mt -53.53 -41.71 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.14 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.477 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.86 158.87 55.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.4 30.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 175.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.1 mt -104.42 102.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -123.15 129.49 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' CD2' HG13 ' A' ' 36' ' ' VAL . 17.7 p90 -159.11 178.35 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' LEU . 58.6 t -121.58 131.09 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mt -106.51 124.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -82.61 109.02 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 131' ' ' ILE . 4.5 mm? -78.54 91.71 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -70.54 76.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.434 HD13 ' CD ' ' A' ' 135' ' ' GLN . 43.7 mm -60.96 97.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' ILE . 26.5 mt-10 -36.08 -60.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.8 tt0 -148.63 126.63 5.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.78 150.86 90.86 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.336 -0.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -72.12 100.71 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.814 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.4 m -144.54 149.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -98.12 121.99 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 142' ' ' PHE . 78.3 mt -121.02 101.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.5 103.79 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.836 HD11 HD22 ' A' ' 94' ' ' LEU . 11.7 tp -94.51 111.14 22.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HA ' HG22 ' A' ' 65' ' ' VAL . 61.4 mt-30 -87.5 95.98 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 64' ' ' PHE . 5.8 p -92.01 144.83 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.2 m -141.98 121.12 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.448 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 8.0 mtt -110.34 98.34 35.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HG3' HD22 ' A' ' 90' ' ' LEU . 53.7 Cg_endo -69.77 171.75 13.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -59.57 -14.07 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.498 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 19.2 m -86.65 -63.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -32.85 146.56 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.352 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -33.65 -48.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.498 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.0 tt -95.3 148.2 22.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.57 95.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.0 pp -47.0 174.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -119.15 125.86 50.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.836 HD22 HD11 ' A' ' 79' ' ' LEU . 11.3 mt -123.7 131.39 53.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -138.98 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -113.04 130.16 9.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -128.01 134.26 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 t -140.73 163.11 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -53.38 -53.55 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -55.59 -52.51 63.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.402 ' CB ' ' HG3' ' A' ' 106' ' ' GLN . 2.1 mt -75.34 121.14 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.85 -71.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -126.46 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -59.94 -44.25 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.75 -55.34 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' LEU . 7.8 mt-30 -52.03 -62.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLN . 19.6 mt -35.67 -55.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' CE1' ' A' ' 141' ' ' TYR . 83.3 mt -50.16 -47.68 54.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 141' ' ' TYR . 6.0 tp -67.52 -57.66 6.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.24 -63.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -39.36 -40.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.83 -47.69 24.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.67 -57.57 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 22.7 p -47.3 -50.21 22.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -41.16 86.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 27.1 t80 -58.02 -42.46 85.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 126' ' ' CYS . 46.0 mm -77.47 -38.02 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.67 -28.47 15.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.3 p -67.64 -44.95 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -38.22 145.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.6 158.16 33.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.48 5.11 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.68 -44.73 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.2 pt-20 -100.38 176.8 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.2 mt -79.71 165.39 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.46 ' HB3' HG23 ' A' ' 117' ' ' ILE . 75.2 m -133.82 -53.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 128' ' ' CYS . 12.7 p -44.26 -39.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.407 ' N ' HG13 ' A' ' 127' ' ' VAL . 22.1 p -56.5 -40.55 75.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -38.52 59.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.71 -58.14 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.48 HG23 ' CD1' ' A' ' 68' ' ' LEU . 31.5 mt -46.37 -58.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -54.85 -56.89 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 81.1 t90 -47.52 -59.35 3.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.4 mt -48.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.434 ' CD ' HD13 ' A' ' 70' ' ' ILE . 20.2 mm-40 -45.85 -47.8 15.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -43.34 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 133' ' ' TRP . 0.8 OUTLIER -117.65 43.65 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.4 t -90.45 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -54.72 -46.27 74.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 139' ' ' ALA . 66.6 m -34.09 -45.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 109' ' ' LEU . 99.7 m-85 -73.63 -63.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.814 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 47.5 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -41.12 -40.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 29.8 mtmt -38.79 -45.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.17 -65.52 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 49.8 m -43.74 -61.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.1 mt -47.67 -45.92 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.91 42.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 18' ' ' LEU . 7.0 mp -72.22 -29.45 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.637 ' HB3' HD12 ' A' ' 62' ' ' ILE . 16.0 mt-30 -64.05 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD11 ' CG2' ' A' ' 47' ' ' ILE . 64.1 mt -72.68 -33.2 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.07 -56.87 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' OE2' ' HE3' ' A' ' 83' ' ' MET . 2.8 pt-20 -47.43 -36.58 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 48.5 mmm -57.37 -35.41 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.58 -38.0 70.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtt -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 66' ' ' ILE . 20.1 mt -63.37 -56.38 16.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 23' ' ' MET . 15.3 m-85 -45.48 -54.16 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -58.9 -41.55 87.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtm -65.04 -23.01 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -121.4 81.16 38.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -20.81 34.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -85.04 121.75 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.0 132.1 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.06 -41.84 1.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -61.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.78 HG13 ' CD2' ' A' ' 64' ' ' PHE . 22.8 t -93.6 115.59 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -110.6 98.0 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 44' ' ' LEU . 10.7 mt -82.8 131.19 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.4 -22.03 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.888 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 3.9 p-10 -164.68 124.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.4 m -66.42 -20.74 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -17.13 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . . . -56.11 -31.12 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 38' ' ' LEU . 7.6 mt -83.34 -36.74 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ILE . 66.7 m -69.05 -63.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . 33.1 m120 -36.3 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CG2' HD11 ' A' ' 20' ' ' LEU . 76.4 mt -68.96 -61.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG3' HD13 ' A' ' 20' ' ' LEU . 64.8 mttt -41.46 -30.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.51 -42.84 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 45.1 t80 -57.51 -26.75 61.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.8 -52.09 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.44 -13.15 50.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.652 0.739 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.8 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.7 159.46 53.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.363 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 128.73 16.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -53.5 169.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 19' ' ' GLN . 71.4 mt -94.25 108.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.86 137.79 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.78 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -165.52 179.69 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.58 125.7 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.66 ' CD1' HD22 ' A' ' 26' ' ' LEU . 14.3 mt -107.06 129.96 59.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.7 m -87.64 135.39 33.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -101.33 93.68 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.93 75.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.7 mm -57.79 107.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -49.89 -54.95 16.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.446 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 4.8 tt0 -145.76 123.46 6.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 148.58 86.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.371 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -66.63 80.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -126.42 171.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -115.44 143.25 45.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.4 mt -145.52 132.62 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.65 128.07 44.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.913 HD11 HD22 ' A' ' 94' ' ' LEU . 8.9 tp -114.86 116.72 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -88.27 105.28 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG21 ' CG2' ' A' ' 127' ' ' VAL . 1.9 p -100.35 136.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.3 m -139.94 108.0 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.522 ' HE3' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -112.08 117.09 48.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.843 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.63 ' HG3' HD21 ' A' ' 90' ' ' LEU . 54.0 Cg_endo -69.83 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.5 OUTLIER -84.08 0.39 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.2 t -98.37 -58.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.59 150.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.698 0.761 . . . . 0.0 110.889 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.1 Cg_endo -69.75 -1.44 6.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.401 -0.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.431 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 4.5 m-30 -39.19 -52.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 90' ' ' LEU . 2.4 pp -103.29 -174.06 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.492 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -96.98 97.23 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.1 pp -46.96 172.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -111.22 133.11 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.913 HD22 HD11 ' A' ' 79' ' ' LEU . 6.7 mt -129.03 144.59 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.24 106.02 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.07 125.48 8.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 -130.86 134.64 46.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -140.67 150.54 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.1 p -63.95 -41.45 97.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -67.33 -49.43 64.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.9 135.85 49.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.82 173.62 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -54.61 -55.93 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -53.89 -59.44 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -45.36 -50.14 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -50.47 -59.61 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.8 mt -39.65 -45.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.03 -44.6 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.525 HD12 ' CE1' ' A' ' 141' ' ' TYR . 6.0 tp -65.39 -57.3 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -60.87 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -42.38 -49.85 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.25 -35.96 91.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 94' ' ' LEU . 10.3 tp -71.6 -50.92 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.5 p -49.98 -47.58 52.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -60.01 -45.16 93.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.512 ' CG ' ' CD1' ' A' ' 133' ' ' TRP . 53.2 t80 -58.56 -38.78 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' A' ' 130' ' ' ALA . 29.2 mm -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.6 -20.71 56.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.8 p -73.92 -39.24 63.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -47.13 156.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -108.03 158.12 34.42 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.7 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.42 -33.74 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 9.0 pt-20 -111.29 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 22' ' ' GLU . 38.4 mt -83.79 152.13 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.7 -48.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 81' ' ' VAL . 13.1 p -45.54 -33.82 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 45.5 t -59.18 -41.29 88.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.51 -49.09 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.608 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -39.98 -44.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 71.4 mt -51.83 -64.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -57.69 -54.64 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.512 ' CD1' ' CG ' ' A' ' 116' ' ' TYR . 69.7 t90 -41.9 -51.93 4.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 135' ' ' GLN . 3.3 mt -54.27 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 134' ' ' LEU . 47.5 mt-30 -35.03 -61.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.18 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -89.54 59.85 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -128.64 -54.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.13 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 t -41.76 -45.64 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.525 ' CE1' HD12 ' A' ' 109' ' ' LEU . 52.3 m-85 -72.21 -62.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 11.3 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 42.0 t -36.21 -39.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' VAL . 72.3 mttt -35.8 -66.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -49.23 -51.29 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -49.89 -57.64 7.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 47' ' ' ILE . 66.8 mt -55.26 -52.01 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -40.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mp -72.96 -37.1 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.785 ' HB3' HD12 ' A' ' 62' ' ' ILE . 67.5 mt-30 -55.04 -40.74 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.57 -29.65 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.3 mt -62.18 -55.63 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.658 ' HB3' HD13 ' A' ' 125' ' ' LEU . 2.6 pp20? -60.78 -36.05 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.53 ' HA ' HD12 ' A' ' 26' ' ' LEU . 65.5 mmm -51.27 -50.74 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.95 -48.84 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtt -58.72 -36.5 74.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 23' ' ' MET . 16.7 mt -62.37 -48.01 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -54.97 -51.13 67.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -61.11 -42.39 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.7 mtp -62.52 -29.7 70.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -118.38 82.25 18.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.55 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -59.99 95.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -41.78 133.69 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.74 -45.29 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.97 -69.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 64' ' ' PHE . 61.3 t -78.05 126.87 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.26 96.75 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -53.41 -15.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -171.53 111.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.31 -11.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -76.07 -11.22 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.89 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.2 mt -83.38 -36.59 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -65.98 -63.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -37.33 -47.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.658 HG23 HD13 ' A' ' 16' ' ' LEU . 81.0 mt -54.65 -51.05 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -51.15 -19.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 mmm-85 -83.34 -34.22 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.88 -42.8 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.88 -28.39 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -30.14 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.739 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.739 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.73 159.12 54.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -55.91 179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 19' ' ' GLN . 91.8 mt -105.52 97.01 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -123.13 133.98 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.755 ' O ' HG12 ' A' ' 81' ' ' VAL . 30.8 p90 -163.1 177.98 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.06 129.61 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.485 HD11 ' HE2' ' A' ' 64' ' ' PHE . 18.0 mt -107.32 124.96 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.522 HG23 ' HG3' ' A' ' 76' ' ' LYS . 98.7 m -84.36 101.61 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 68' ' ' LEU . 3.7 mm? -66.05 100.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 75.43 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.64 130.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.2 -42.82 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tt0 -160.94 123.9 1.85 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.77 140.63 61.71 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.353 0.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.22 84.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.99 168.03 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HG3' HG23 ' A' ' 67' ' ' THR . 14.3 ttpp -110.03 142.81 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.8 mt -143.79 114.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -80.48 116.14 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.961 HD11 HD22 ' A' ' 94' ' ' LEU . 11.2 tp -104.58 110.61 22.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -82.82 91.67 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 64' ' ' PHE . 9.7 p -85.03 147.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -141.5 108.83 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.677 ' HE1' HG11 ' A' ' 127' ' ' VAL . 19.6 mtm -107.45 106.36 58.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.457 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 53.8 Cg_endo -69.78 -168.89 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -80.21 -22.8 41.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 90' ' ' LEU . 55.7 m -79.1 -52.74 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -32.93 146.24 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.685 0.755 . . . . 0.0 110.911 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.72 -24.8 8.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.342 -0.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 88' ' ' PRO . 7.3 m-85 -31.76 -41.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 91' ' ' ALA . 6.4 tt -98.55 160.87 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.768 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -86.3 96.87 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 87' ' ' TYR . 3.9 pp -46.44 170.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.6 115.85 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.961 HD22 HD11 ' A' ' 79' ' ' LEU . 13.9 mt -111.72 140.89 45.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -150.05 111.8 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.33 142.15 15.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -147.46 134.5 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 m -140.98 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 m -78.23 -53.78 6.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -54.11 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.08 157.57 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -109.04 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.02 -50.08 73.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -56.96 -58.49 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -52.16 -58.8 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -39.5 -52.89 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.8 mt -49.1 -41.05 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.52 -44.74 81.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.37 -54.35 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -57.36 -63.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -41.24 -48.71 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.0 -44.36 98.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.564 HD21 HD13 ' A' ' 94' ' ' LEU . 13.9 tp -68.82 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.8 p -37.13 -51.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 m -62.16 -46.6 88.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -54.63 -35.07 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 130' ' ' ALA . 13.3 mm -81.78 -30.35 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.51 -6.1 53.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 74.2 p -93.41 -32.56 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -42.85 159.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 2.8 t70 -90.76 140.85 26.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 121' ' ' ASP . 53.4 Cg_endo -69.77 96.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 156.62 -22.68 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -112.07 174.48 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 22' ' ' GLU . 61.2 mt -78.27 147.98 34.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' CYS . . . . . 0.423 ' HB3' HG23 ' A' ' 117' ' ' ILE . 3.7 m -124.43 -40.92 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.677 HG11 ' HE1' ' A' ' 83' ' ' MET . 13.3 p -55.15 -29.3 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.37 -28.36 69.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.52 -48.5 7.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.539 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -41.28 -34.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.37 -56.13 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.97 -52.84 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -43.73 -46.84 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' GLN . 11.1 mt -63.59 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' LEU . 42.7 mt-30 -36.83 -48.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.34 -51.97 26.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -89.63 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.3 t -109.41 -50.39 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.23 -48.63 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 p -38.94 -40.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -74.71 -55.45 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t -38.67 -37.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -47.2 -69.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HD23 ' A' ' 18' ' ' LEU . 20.2 mt-10 -45.96 -48.43 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 m -50.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.417 HD13 HG23 ' A' ' 47' ' ' ILE . 59.8 mt -39.5 -46.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.48 -53.78 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 3.3 mm? -57.87 -29.3 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.774 ' HB3' HD12 ' A' ' 62' ' ' ILE . 60.8 mt-30 -75.11 -14.94 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.1 mt -91.91 -52.53 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.08 -30.97 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.8 pp20? -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mmm -69.12 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 26.4 mtm -79.65 -28.53 40.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -48.3 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -48.56 -54.99 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -52.43 -38.45 59.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.0 mtm -68.3 -33.7 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.81 80.58 14.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -35.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -62.93 95.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -42.91 152.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.99 -42.88 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -68.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.857 HG13 ' CD2' ' A' ' 64' ' ' PHE . 46.8 t -81.02 106.55 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -95.34 104.67 16.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -93.72 122.06 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -52.16 -36.79 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.05 127.08 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.43 -13.46 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.44 2.06 56.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.25 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.5 -45.57 62.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ASN . 95.2 m -59.89 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' THR . 90.8 m-20 -35.25 -45.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.7 mt -58.02 -58.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -38.96 -34.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -72.85 -44.93 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.8 t80 -58.93 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 51' ' ' LEU . 12.7 mt -64.22 -33.49 75.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 52' ' ' GLU . 2.4 tp10 -74.63 -28.9 61.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.772 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.772 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.69 159.32 53.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 111.9 2.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.52 167.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 19' ' ' GLN . 81.3 mt -94.14 97.93 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -120.04 127.73 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.857 ' CD2' HG13 ' A' ' 36' ' ' VAL . 9.2 p90 -152.94 -178.66 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -125.76 129.56 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.537 HD11 ' HE2' ' A' ' 64' ' ' PHE . 58.9 mt -109.28 127.85 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -86.43 111.18 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.18 98.32 8.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.28 69.62 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 70' ' ' ILE . 5.5 mm -47.94 114.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -54.67 -59.17 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 15.0 tt0 -141.47 121.93 8.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.79 157.76 91.79 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -77.84 94.98 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.93 164.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -109.97 131.65 54.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.4 mt -136.01 117.43 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.28 117.86 20.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.687 HD11 HD22 ' A' ' 94' ' ' LEU . 10.1 tp -107.67 107.9 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -83.59 109.5 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 HD21 ' A' ' 94' ' ' LEU . 2.2 p -104.02 129.36 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -127.93 106.85 9.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.08 122.01 55.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.643 ' HG3' HD12 ' A' ' 90' ' ' LEU . 54.4 Cg_endo -69.75 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -87.87 -28.42 21.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.6 m -77.09 -45.43 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.558 ' HA ' ' C ' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -32.32 144.55 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.693 0.759 . . . . 0.0 110.903 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.72 5.49 3.64 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 -1.796 . . . . 0.0 112.365 -0.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.516 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 79.5 m-85 -80.64 25.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.905 HD13 ' H ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -148.11 161.23 41.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.905 ' H ' HD13 ' A' ' 90' ' ' LEU . . . -87.27 76.43 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.55 HD11 HD12 ' A' ' 94' ' ' LEU . 4.2 pp -41.88 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -113.4 124.08 51.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 79' ' ' LEU . 5.6 mt -122.25 122.76 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -130.92 113.12 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.35 116.94 5.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -122.27 134.31 54.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -140.11 139.19 35.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.0 p -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.59 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.827 HD22 ' HB3' ' A' ' 105' ' ' GLN . 81.2 mt -57.1 136.42 56.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 103' ' ' ARG . 30.2 m-20 -92.42 163.85 13.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASP . 22.2 ttm180 -34.34 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -51.93 -56.6 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.827 ' HB3' HD22 ' A' ' 101' ' ' LEU . 14.4 mm100 -55.04 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -37.99 -43.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -65.01 -53.97 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.99 -46.33 71.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.08 -57.5 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -52.01 -56.08 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -40.79 -45.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.95 -46.53 72.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 94' ' ' LEU . 11.1 tp -65.07 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 p -37.82 -54.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 m -68.12 -35.67 78.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 50.7 t80 -60.87 -22.64 64.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.495 HD11 ' HB2' ' A' ' 130' ' ' ALA . 23.3 mm -93.2 -34.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.89 -15.42 27.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -77.99 -45.79 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.149 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -42.07 141.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.3 159.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 131.35 21.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.68 -46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -95.3 160.13 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -68.4 155.99 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 69.3 m -125.81 -45.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 128' ' ' CYS . 11.2 p -50.64 -41.54 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.453 ' N ' HG13 ' A' ' 127' ' ' VAL . 20.8 t -56.74 -25.62 55.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.01 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -48.46 -53.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.9 mt -46.87 -62.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -53.97 -47.5 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 90.6 t90 -51.73 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.529 HD11 HD13 ' A' ' 79' ' ' LEU . 10.3 mt -40.97 -61.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.3 mm-40 -35.66 -49.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.1 -46.59 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -89.73 46.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -117.52 -52.57 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -60.46 -49.06 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' ALA . 5.1 t -37.13 -36.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -86.72 -47.22 9.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.548 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 23.5 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -153.43 147.31 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.83 -52.43 12.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -124.86 165.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -175.0 131.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.47 -126.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 mtp -117.03 123.75 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -171.79 163.49 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.07 149.14 52.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' VAL . 5.9 t -85.77 125.37 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.1 t -37.0 -41.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' VAL . 18.2 mtpt -36.01 -60.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -53.71 -59.21 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -40.6 -62.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD22 HD13 ' A' ' 47' ' ' ILE . 50.7 mt -49.51 -42.13 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.6 -47.91 75.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 21' ' ' LEU . 10.0 mp -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -82.36 -19.59 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD23 HD11 ' A' ' 62' ' ' ILE . 87.6 mt -93.03 -37.59 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.55 -41.13 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.497 ' OE1' HG11 ' A' ' 127' ' ' VAL . 7.1 pt-20 -59.08 -24.85 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.4 mmm -62.33 -44.24 96.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.44 -32.29 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtm -74.98 -43.25 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.84 -44.06 97.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.24 -36.14 74.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -67.89 -46.07 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mtm -68.68 -10.92 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD1' ' OE1' ' A' ' 35' ' ' GLU . 57.6 m-85 -126.74 89.14 52.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -31.59 20.28 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -68.79 136.81 53.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.61 -28.99 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.96 40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 9.8 mm-40 -112.2 -74.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 64' ' ' PHE . 66.4 t -83.39 112.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -103.05 102.53 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.44 120.62 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.35 -33.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -158.47 123.62 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 m -63.54 -16.28 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -91.4 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.84 -35.55 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -63.8 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -38.77 -36.88 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD13 HD22 ' A' ' 16' ' ' LEU . 47.0 mt -68.83 -59.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -42.17 -28.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -75.26 -39.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -62.13 -32.07 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.13 -32.53 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -72.05 -30.0 64.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.53 -6.64 59.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -66.88 -36.13 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -101.76 95.16 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -62.45 -30.46 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 127.15 31.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -63.72 120.89 67.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.98 20.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -56.36 170.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD11 HD23 ' A' ' 20' ' ' LEU . 67.2 mt -94.99 93.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HG3' HG23 ' A' ' 82' ' ' THR . 14.0 tt0 -113.09 132.26 55.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' HE2' HD11 ' A' ' 66' ' ' ILE . 3.1 p90 -156.85 175.51 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.97 125.07 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.599 HD11 ' HE2' ' A' ' 64' ' ' PHE . 43.0 mt -107.0 129.46 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.634 HG21 ' HD2' ' A' ' 76' ' ' LYS . 94.8 m -88.83 127.14 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.02 102.1 14.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.414 ' O ' ' CD ' ' A' ' 69' ' ' GLN . 0.6 OUTLIER -78.6 73.52 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.0 mm -59.44 121.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.49 -37.94 80.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.3 tt0 -164.2 124.74 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.2 Cg_endo -69.82 134.6 30.25 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.288 0.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -52.57 90.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 73' ' ' PRO . 32.1 m -139.91 173.81 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.634 ' HD2' HG21 ' A' ' 67' ' ' THR . 18.6 ttpt -124.46 130.16 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.85 106.65 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.41 118.09 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.773 HD11 HD22 ' A' ' 94' ' ' LEU . 6.3 tp -109.82 111.45 22.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -90.04 102.8 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.1 p -96.83 136.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 63' ' ' GLU . 6.1 m -136.15 108.56 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.415 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.2 OUTLIER -105.29 101.83 33.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.3 Cg_endo -69.78 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.24 3.78 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 53.9 m -102.34 -62.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -36.64 150.01 0.14 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.79 -24.33 8.64 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.334 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.0 m-85 -34.52 -44.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 4.0 tt -100.62 154.35 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -72.83 100.96 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 92' ' ' LEU . 3.4 pp -54.63 175.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 92' ' ' LEU . 5.9 tp60 -121.74 125.33 46.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 79' ' ' LEU . 5.6 mt -122.66 154.91 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -139.33 111.34 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.07 111.75 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -144.17 144.47 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.17 148.42 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 p -48.7 -45.02 38.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.78 -61.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.6 mt -39.65 155.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -113.37 177.6 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -59.12 -58.01 10.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -56.75 -47.25 80.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -54.92 -61.1 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 107' ' ' LEU . 34.1 mt-30 -39.64 -61.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' GLN . 14.2 mt -38.15 -55.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.85 -50.94 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.946 HD12 ' CD2' ' A' ' 141' ' ' TYR . 4.8 tp -58.4 -65.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -44.44 -55.86 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -49.87 -56.88 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.75 -33.25 42.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 114' ' ' THR . 6.1 tp -76.1 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.0 p -35.1 -49.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.867 ' O ' HG23 ' A' ' 119' ' ' THR . 73.9 m -61.26 -46.72 89.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 113' ' ' LEU . 62.3 t80 -55.12 -43.68 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.543 HG23 ' HB3' ' A' ' 126' ' ' CYS . 32.3 mm -75.5 -23.6 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 10.83 58.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 115' ' ' SER . 10.4 p -115.23 17.6 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -101.41 158.61 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.93 144.92 37.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 94.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.28 -33.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 4.3 pt-20 -105.76 169.87 8.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.5 mt -76.75 155.34 33.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.543 ' HB3' HG23 ' A' ' 117' ' ' ILE . 4.3 m -125.6 -35.56 2.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.497 HG11 ' OE1' ' A' ' 22' ' ' GLU . 8.7 p -57.45 -28.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 15.1 m -69.17 -23.97 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -93.28 -29.35 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -61.22 -35.79 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.95 -59.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.91 -45.56 92.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -49.43 -56.45 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.5 mt -53.44 -56.87 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -46.31 -62.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -41.08 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.26 50.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.9 t -105.95 -43.55 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.34 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -43.64 -37.4 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.946 ' CD2' HD12 ' A' ' 109' ' ' LEU . 91.0 m-85 -77.68 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -46.97 -52.35 14.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 97.9 mt -38.89 106.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -141.48 164.85 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -98.63 95.37 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -141.21 125.91 17.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 147' ' ' LEU . 1.3 tm? -77.83 97.28 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.91 -27.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 59.5 p -65.59 135.87 55.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -173.86 154.22 19.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.78 29.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.5 m -123.47 162.72 22.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 11.8 m -134.23 120.96 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.7 p -166.83 146.05 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -94.28 7.96 43.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.63 -127.29 44.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -98.31 160.4 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -124.44 168.17 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.91 67.56 1.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.68 173.86 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -82.18 141.75 32.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 146.47 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 15.4 t -81.08 129.91 34.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.4 t -35.56 -41.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' VAL . 31.7 mtmt -36.3 -52.05 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -59.37 -49.86 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.2 m -54.18 -51.78 63.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 47' ' ' ILE . 19.2 mt -58.89 -35.05 72.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.49 -47.46 85.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.3 mm? -60.86 -25.27 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.76 ' HB3' HD12 ' A' ' 62' ' ' ILE . 46.9 mt-30 -81.21 -14.63 57.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.64 HD11 HG22 ' A' ' 47' ' ' ILE . 39.1 mt -91.1 -55.46 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp -53.53 -30.81 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG2' ' C ' ' A' ' 19' ' ' GLN . 7.9 pt-20 -67.9 -29.78 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.8 mmm -64.5 -48.26 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -63.82 -23.33 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 34.9 mtm -88.28 -35.43 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.64 -45.39 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.88 -44.6 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 t -63.25 -46.0 88.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.6 mtm -60.42 -20.0 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CE2' HD13 ' A' ' 66' ' ' ILE . 74.2 m-85 -117.51 89.77 33.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.8 37.14 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.43 -20.29 53.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 42.66 52.52 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -48.36 -45.53 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.57 91.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -85.7 110.41 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.7 mt -99.43 108.73 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' LEU . 16.7 pt-20 -36.57 -46.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.75 129.87 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.12 -16.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 35.3 m-80 -88.31 1.92 53.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.48 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.75 -43.62 36.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -61.45 -48.16 82.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.419 HD22 ' CD ' ' A' ' 60' ' ' PRO . 36.2 m-20 -51.33 -48.68 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.64 HG22 HD11 ' A' ' 20' ' ' LEU . 59.0 mt -48.85 -57.15 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -44.73 -40.53 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.44 -37.32 77.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -59.68 -48.7 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.41 -34.15 10.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -30.25 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.4 -15.9 37.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -59.87 -14.22 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -124.07 97.36 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -60.24 -33.08 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 118.57 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.666 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -65.98 124.01 86.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.666 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.78 155.68 65.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.612 2.208 . . . . 0.0 112.369 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.419 ' CD ' HD22 ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -52.26 156.97 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.76 HD12 ' HB3' ' A' ' 19' ' ' GLN . 72.6 mt -82.99 102.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.541 ' CG ' HG23 ' A' ' 82' ' ' THR . 5.4 mt-10 -120.91 133.75 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CZ ' HG11 ' A' ' 81' ' ' VAL . 13.1 p90 -162.07 -179.69 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.783 HG11 ' OD2' ' A' ' 78' ' ' ASP . 88.4 t -131.31 128.46 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.649 HD13 ' CE2' ' A' ' 30' ' ' PHE . 8.7 mt -106.55 125.02 62.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.442 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 67.0 m -83.96 106.37 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.3 mm? -77.06 93.62 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.61 80.78 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 70' ' ' ILE . 4.8 mm -61.67 116.37 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PRO . 33.3 mm-40 -63.94 -64.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 73' ' ' PRO . 2.0 tp10 -122.22 110.53 32.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 -175.9 11.7 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.368 -0.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -102.17 94.25 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 142' ' ' PHE . 13.7 m -144.04 -177.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HG3' ' CG2' ' A' ' 67' ' ' THR . 15.0 ttpp -127.41 139.42 52.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.79 108.98 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.783 ' OD2' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -74.08 112.02 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.011 HD11 HD22 ' A' ' 94' ' ' LEU . 13.3 tp -101.91 120.92 41.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.478 ' HA ' HG22 ' A' ' 65' ' ' VAL . 7.4 mt-30 -95.38 111.42 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.5 p -103.13 145.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.541 HG23 ' CG ' ' A' ' 63' ' ' GLU . 36.9 m -139.81 108.32 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.416 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -108.23 98.96 29.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.1 Cg_endo -69.83 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.05 -8.73 57.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 41.9 m -89.36 -63.18 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.78 148.57 0.15 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.758 . . . . 0.0 110.924 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.81 -24.35 8.63 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.326 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.8 m-85 -34.3 -43.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.5 tt -102.04 154.64 18.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -72.58 107.03 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.2 pp -61.32 178.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.463 ' N ' HD12 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -123.29 138.27 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.011 HD22 HD11 ' A' ' 79' ' ' LEU . 7.0 mt -137.82 144.95 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -144.35 122.71 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.24 128.88 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -137.77 142.18 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.3 t -140.61 123.7 16.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.6 t -43.66 -41.24 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.58 -45.84 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.777 HD21 ' CE1' ' A' ' 142' ' ' PHE . 24.0 mt -56.48 179.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.4 -179.13 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -68.25 -51.43 45.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -57.01 -50.72 71.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 26.0 mt-30 -62.4 -53.79 49.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -43.26 -55.18 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 107' ' ' LEU . 8.3 mt -47.47 -64.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.5 mt -45.2 -47.0 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.09 -69.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -47.29 -58.83 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -41.32 -54.3 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.69 75.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.22 -55.92 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -38.42 -57.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 119' ' ' THR . 14.1 m -57.99 -49.24 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 60.3 t80 -53.57 -35.62 60.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.6 mm -83.61 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.66 -9.07 86.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 115' ' ' SER . 33.6 p -78.58 -40.85 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -45.22 158.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 158.75 31.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.52 -32.5 2.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 10.1 pt-20 -103.61 168.54 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.63 152.89 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.74 -37.48 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 128' ' ' CYS . 14.9 p -52.09 -44.39 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 127' ' ' VAL . 42.1 t -54.39 -28.94 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.34 10.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.85 -39.72 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.45 -49.99 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.533 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 75.6 t90 -48.41 -51.61 25.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -55.09 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.65 -49.69 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.74 -27.43 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -111.6 50.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.7 t -117.03 -52.78 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 143' ' ' LEU . . . -54.46 -53.19 57.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 143' ' ' LEU . 49.0 m -35.67 -49.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.489 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 67.1 m-85 -77.23 -48.2 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.777 ' CE1' HD21 ' A' ' 101' ' ' LEU . 15.1 m-85 -65.9 -68.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 139' ' ' ALA . 10.6 mt 41.47 53.19 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.62 ' HB3' HD23 ' A' ' 147' ' ' LEU . 19.9 m-20 -67.2 122.81 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 146' ' ' LYS . 6.8 tpt180 -77.48 124.73 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 145' ' ' ARG . 3.4 mmmp? 34.56 45.96 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 144' ' ' ASN . 0.8 OUTLIER -58.96 107.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 85.9 t -76.67 88.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 147' ' ' LEU . 8.5 t -146.73 133.59 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.78 171.48 22.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.79 5.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -99.76 40.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 54.3 p -67.21 111.43 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -49.92 -49.6 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -139.5 116.14 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.09 142.08 3.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -144.89 160.99 40.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -163.2 173.96 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.87 110.02 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -73.06 -44.98 59.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -94.27 92.98 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 167.05 15.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' VAL . 34.0 t -106.33 136.21 46.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 16' ' ' LEU . 46.7 t -37.27 -44.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -38.19 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -54.24 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -52.91 -66.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD12 HG12 ' A' ' 12' ' ' VAL . 13.3 mt -43.02 -49.27 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -38.07 -45.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -69.78 -42.89 73.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.88 ' HB3' HD12 ' A' ' 62' ' ' ILE . 3.5 mp0 -52.75 -17.9 1.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 mt -91.5 -57.78 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.8 pt-20 -66.23 -30.13 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.493 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.18 -33.62 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.403 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 6.4 mtt -71.56 -38.54 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.629 HD22 HD11 ' A' ' 66' ' ' ILE . 13.8 mt -71.46 -45.17 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.09 -49.42 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -50.95 -38.36 50.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 mtm -72.64 -34.31 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' HZ ' HD13 ' A' ' 131' ' ' ILE . 23.5 m-85 -116.22 75.61 6.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.31 33.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.52 110.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -60.36 105.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -17.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.75 -57.74 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 64' ' ' PHE . 52.3 t -93.6 118.41 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 112.43 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.19 108.32 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -45.29 -23.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -167.61 114.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.53 -13.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -74.03 -12.82 60.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -29.24 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.3 mt -86.33 -39.58 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASN . 94.5 m -64.9 -60.93 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' THR . 33.1 m120 -36.43 -38.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' CG2' HD22 ' A' ' 16' ' ' LEU . 54.8 mt -64.1 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ILE . 52.8 mttt -37.33 -33.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.774 ' O ' HG22 ' A' ' 54' ' ' THR . 54.0 mtp180 -71.06 -49.32 45.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 1.5 t80 -65.95 -46.5 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -41.62 -32.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.77 -30.23 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 107.07 23.1 7.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 49' ' ' ARG . 14.8 t -100.85 24.36 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.51 132.11 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -82.85 -23.8 33.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.13 144.92 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.42 117.44 18.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 166.22 28.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.85 32.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 82' ' ' THR . 12.9 pttm -93.75 -176.99 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.88 HD12 ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.53 93.33 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.07 124.54 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD2' HG13 ' A' ' 36' ' ' VAL . 23.3 p90 -152.89 178.97 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.05 131.05 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.629 HD11 HD22 ' A' ' 26' ' ' LEU . 43.1 mt -106.84 129.98 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.544 HG23 ' HG3' ' A' ' 76' ' ' LYS . 98.9 m -86.76 116.68 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD11 HG23 ' A' ' 131' ' ' ILE . 4.2 mm? -92.23 98.47 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.02 74.9 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . 42.1 mm -45.58 104.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ILE . 12.5 mt-10 -37.05 -56.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.6 tt0 -149.74 125.76 5.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.72 157.53 91.84 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.361 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -72.95 97.05 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.04 174.54 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HG3' HG23 ' A' ' 67' ' ' THR . 7.7 ttpm? -120.47 133.53 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.6 mt -133.94 115.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.06 113.26 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 94' ' ' LEU . 14.6 tp -99.41 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -84.39 103.2 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -98.73 141.7 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 61' ' ' LYS . 10.2 m -141.15 108.25 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.435 ' HE3' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -104.15 103.69 39.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.28 46.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -49.42 -18.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' TYR . 50.1 m -83.02 -56.31 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -36.46 148.57 0.17 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.77 8.4 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.382 -0.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.481 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 33.8 m-85 -33.33 -42.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.977 HD23 ' N ' ' A' ' 91' ' ' ALA . 8.1 tt -99.92 156.97 16.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.977 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -77.61 105.34 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.5 pp -56.35 -179.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -126.29 115.3 19.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 79' ' ' LEU . 7.8 mt -113.21 148.28 35.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -151.29 108.88 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.48 132.03 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -145.83 138.08 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.7 p -139.27 146.17 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -49.17 -42.39 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.83 145.34 55.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.69 172.45 6.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.75 -63.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -51.05 -58.33 6.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 25.5 mm100 -46.24 -53.84 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -47.34 -56.94 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -38.6 -46.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.05 -47.42 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.28 -58.01 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -47.13 -67.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -48.27 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.55 -39.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.5 tp -73.9 -64.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.2 p -42.63 -41.48 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 t -70.7 -40.55 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 37.5 t80 -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.71 HG23 ' HB3' ' A' ' 126' ' ' CYS . 49.9 mm -71.54 -33.73 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -52.14 -19.82 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -71.38 -41.06 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.4 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -100.68 155.72 36.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.0 Cg_endo -69.73 104.1 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.03 -39.35 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -101.13 153.21 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.51 154.96 27.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.71 ' HB3' HG23 ' A' ' 117' ' ' ILE . 27.1 m -127.55 -36.02 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -57.13 -27.17 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 13.6 p -64.94 -32.21 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.45 -45.82 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.89 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 68' ' ' LEU . 95.5 mt -54.21 -69.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -49.47 -56.13 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.445 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 82.1 t90 -43.43 -46.58 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 135' ' ' GLN . 4.2 mt -60.0 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 134' ' ' LEU . 71.4 mt-30 -34.63 -55.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.14 -40.59 86.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 134' ' ' LEU . 66.0 m-80 -93.44 48.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.2 t -123.33 -54.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.57 80.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.526 ' HA ' HD12 ' A' ' 143' ' ' LEU . 4.0 m -59.02 -26.28 64.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 18.7 m-85 -84.56 -42.84 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 143' ' ' LEU . 6.0 m-85 -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 140' ' ' SER . 50.2 mt -35.47 105.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -122.22 155.6 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 2.2 tmt_? -95.08 55.21 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 145' ' ' ARG . 0.0 OUTLIER -151.88 156.82 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.4 tp -144.84 138.43 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.68 176.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.6 m -161.74 137.6 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -129.38 146.62 17.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 178.35 4.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.0 t -146.44 162.89 37.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 18.0 m -90.96 172.23 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -74.54 118.8 17.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -85.84 86.62 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.77 -93.68 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -131.35 114.31 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -46.08 -59.25 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.95 37.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 mmt -116.07 -47.82 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 148.13 26.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.54 159.77 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -110.75 136.37 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 16' ' ' LEU . 25.5 t -36.86 -36.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -44.04 -53.7 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' GLN . 16.6 mt-10 -52.93 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' GLU . 56.2 p -36.61 -55.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.674 HD13 HG23 ' A' ' 47' ' ' ILE . 24.0 mt -64.76 -34.22 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 14' ' ' GLU . 1.2 tm0? -53.41 -43.27 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.66 HD23 HD21 ' A' ' 21' ' ' LEU . 15.0 mt -74.83 -12.9 60.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.72 ' HB3' HD12 ' A' ' 62' ' ' ILE . 72.1 mt-30 -83.99 -26.33 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.679 HD21 ' O ' ' A' ' 44' ' ' LEU . 31.5 mt -84.46 -31.91 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 22' ' ' GLU . 1.7 pp -77.12 -41.88 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.808 ' OE1' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -53.61 -38.56 64.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.42 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 89.6 mmm -48.37 -43.95 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.53 -47.65 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.445 ' HE3' HD11 ' A' ' 125' ' ' LEU . 8.0 mtt -59.54 -47.19 86.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.808 HD12 ' OE1' ' A' ' 22' ' ' GLU . 7.1 mt -59.71 -46.27 89.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 23' ' ' MET . 27.9 m-85 -61.95 -33.53 74.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -68.27 -43.91 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtm -65.13 -9.79 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 39.1 m-85 -122.1 94.71 47.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -43.51 2.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.288 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -54.01 124.06 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 20.8 mp0 -76.11 75.89 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 52.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 21.4 mt-10 -117.67 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 64' ' ' PHE . 31.0 t -68.68 119.76 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -104.47 101.8 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 64' ' ' PHE . 5.7 mt -91.79 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.14 -31.47 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 36.9 m-20 -140.9 115.98 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.88 -15.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -102.42 7.92 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . . . -63.58 -45.8 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.679 ' O ' HD21 ' A' ' 20' ' ' LEU . 1.6 mt -69.46 -48.57 60.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.465 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 11.4 m -59.63 -43.36 93.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -46.05 -26.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.674 HG23 HD13 ' A' ' 16' ' ' LEU . 15.5 mt -84.79 -29.3 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 45' ' ' THR . 9.2 mmmm -57.33 -39.69 76.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 18.0 mtp85 -68.65 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.65 -45.63 68.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.14 -37.04 61.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' ARG . 11.9 pt-20 -81.3 -24.79 36.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' THR . . . 101.27 -32.65 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 2.7 t -36.05 -38.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -66.04 146.74 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 57' ' ' ALA . 1.1 pm0 -110.38 -39.79 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 56' ' ' GLU . . . -102.25 139.95 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.765 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -57.05 126.45 73.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.765 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.8 159.25 54.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.54 5.74 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -43.24 156.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' A' ' 19' ' ' GLN . 52.5 mt -77.68 95.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.61 ' OE2' HG23 ' A' ' 82' ' ' THR . 3.0 tp10 -118.09 129.32 55.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.666 ' HB3' HD23 ' A' ' 38' ' ' LEU . 5.2 p90 -160.1 173.61 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -122.38 127.67 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.543 HD11 ' HE2' ' A' ' 64' ' ' PHE . 53.3 mt -106.52 124.9 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -83.98 114.29 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 131' ' ' ILE . 1.0 OUTLIER -81.48 96.95 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.66 69.81 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.5 mm -47.36 136.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 12.5 pt-20 -74.87 -50.65 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.462 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 13.7 tt0 -151.43 122.44 3.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.3 Cg_endo -69.77 144.07 75.64 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.322 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.1 82.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.54 171.2 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -116.15 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.4 mt -140.3 117.65 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.95 118.04 21.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.801 HD11 HD22 ' A' ' 94' ' ' LEU . 9.1 tp -112.14 105.74 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -80.75 111.84 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.555 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.5 p -103.44 121.03 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' OE2' ' A' ' 63' ' ' GLU . 2.7 m -119.25 114.19 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 110.47 49.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.433 ' CG ' HD21 ' A' ' 90' ' ' LEU . 54.1 Cg_endo -69.69 -169.16 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -84.09 7.12 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' TYR . 13.3 m -106.89 -58.3 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.82 149.92 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.75 -8.29 10.41 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.318 -0.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.3 m-30 -34.33 -50.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 90' ' ' LEU . 1.3 pp -104.85 -175.36 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.58 102.68 14.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 94' ' ' LEU . 4.6 pp -50.12 171.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.16 116.01 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.801 HD22 HD11 ' A' ' 79' ' ' LEU . 6.3 mt -114.83 153.9 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -149.32 109.47 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.52 116.4 4.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -144.39 147.25 33.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 p -139.31 140.99 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 t -47.15 -38.72 12.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.81 -56.54 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 105' ' ' GLN . 20.2 mt -59.02 140.9 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -87.61 164.05 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -48.46 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -48.62 -39.08 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.509 ' HB3' HD22 ' A' ' 101' ' ' LEU . 18.6 mm100 -65.25 -49.46 69.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.6 -49.83 45.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.23 -34.83 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.25 -43.19 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.705 HD12 ' CE1' ' A' ' 141' ' ' TYR . 5.5 tp -67.81 -59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -49.27 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -39.6 -47.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.05 96.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 114' ' ' THR . 7.3 tp -69.68 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LEU . 32.2 p -35.26 -55.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -63.77 -45.72 88.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.431 ' CZ ' ' CD1' ' A' ' 133' ' ' TRP . 56.9 t80 -51.15 -35.98 38.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.424 HD11 ' HB2' ' A' ' 130' ' ' ALA . 15.4 mm -81.68 -32.36 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.4 -14.3 56.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 71.8 p -81.82 -37.57 26.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 129' ' ' ALA . 13.1 m-85 -46.52 147.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.38 154.93 46.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.59 57.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.58 -37.85 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 11.0 pt-20 -100.62 170.79 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.445 HD11 ' HE3' ' A' ' 25' ' ' MET . 19.1 mt -79.93 155.99 27.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 m -126.2 -48.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.504 HG11 HD11 ' A' ' 26' ' ' LEU . 9.3 p -44.63 -41.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.437 ' N ' HG13 ' A' ' 127' ' ' VAL . 30.6 p -55.69 -37.46 68.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 120' ' ' PHE . . . -77.22 -49.79 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -37.96 -44.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.463 HG23 ' CD1' ' A' ' 68' ' ' LEU . 59.8 mt -57.73 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -41.76 -52.9 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.431 ' CD1' ' CZ ' ' A' ' 116' ' ' TYR . 76.5 t90 -50.22 -49.21 53.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 137' ' ' ASN . 4.3 mt -56.47 -61.63 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 134' ' ' LEU . 27.3 mt-30 -35.11 -56.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -69.03 -36.01 77.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' LEU . 71.4 m-80 -102.82 53.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -133.54 -54.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 139' ' ' ALA . 3.7 m -36.99 -47.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.705 ' CE1' HD12 ' A' ' 109' ' ' LEU . 38.1 m-85 -68.56 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 145' ' ' ARG . 18.9 m-85 -43.29 -52.93 5.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 37.2 mt -40.29 111.46 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.4 38.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 146' ' ' LYS . 28.6 mmt180 -152.06 164.69 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 145' ' ' ARG . 64.6 mttt -34.5 121.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.891 HD22 ' N ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER -167.07 163.43 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.891 ' N ' HD22 ' A' ' 147' ' ' LEU . 58.2 t -138.36 135.03 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 33.5 p -102.93 -62.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -173.99 84.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.302 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -89.08 147.98 23.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 50.5 m -93.55 136.2 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -42.37 -58.62 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -147.54 116.76 6.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.61 85.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -131.79 166.13 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p -83.02 92.01 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.54 178.9 18.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -105.68 -54.44 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -75.15 105.82 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 167.56 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -100.41 133.27 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' LYS . 98.1 t -38.24 -39.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' VAL . 42.0 mttp -34.75 -65.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' SER . 61.1 mm-40 -53.24 -54.2 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 p -36.13 -56.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -75.71 -34.2 60.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.43 -53.34 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.09 -14.93 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 15' ' ' SER . 34.2 mt-30 -86.49 -17.87 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.13 -37.08 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -75.39 -37.52 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.0 pp20? -64.86 -18.63 65.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mmm -73.88 -41.77 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.44 -48.79 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.522 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 8.1 ptp -55.92 -29.96 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.74 -49.92 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.2 m-85 -50.84 -43.46 59.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m -54.59 -42.59 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtm -60.66 -47.92 84.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' PHE . 32.7 m-85 -101.79 112.85 65.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.61 6.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -81.75 102.87 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -37.46 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -39.32 -48.03 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.85 -65.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' A' ' 64' ' ' PHE . 10.8 t -78.97 100.72 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -96.15 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mt -99.02 124.06 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.56 -34.7 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.02 128.33 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.21 -16.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -85.57 6.87 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.89 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.94 -40.83 75.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -63.21 -60.73 3.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -41.88 -36.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.489 HD11 HG13 ' A' ' 62' ' ' ILE . 93.4 mt -65.31 -51.22 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -53.65 -23.83 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -76.79 -43.89 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 4.0 t80 -61.12 -29.24 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.9 -53.32 58.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.02 -15.48 59.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.25 21.56 54.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 54' ' ' THR . 5.2 t -95.24 23.82 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -120.91 148.87 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -101.39 -39.61 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.57 157.38 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -63.98 126.33 89.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.703 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.771 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.72 161.94 43.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 138.37 37.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -71.34 158.59 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 62' ' ' ILE . 89.1 mt -82.96 85.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.33 124.08 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.517 ' HE2' HD11 ' A' ' 66' ' ' ILE . 19.3 p90 -151.61 -178.44 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 80' ' ' GLN . 73.1 t -131.5 130.6 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' HE2' ' A' ' 64' ' ' PHE . 48.6 mt -107.79 125.62 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.737 HG23 ' HG2' ' A' ' 76' ' ' LYS . 73.0 m -86.79 97.38 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.3 mt -78.65 139.66 38.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.56 118.72 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLU . 33.4 mm -87.09 106.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' ILE . 13.2 pt-20 -33.89 -46.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.1 tt0 -160.05 122.79 1.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.669 0.747 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.8 148.84 87.64 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.386 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.29 83.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -126.22 167.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.737 ' HG2' HG23 ' A' ' 67' ' ' THR . 0.5 OUTLIER -107.35 137.07 46.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.2 mt -131.46 112.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -77.34 102.57 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.76 HD11 HD22 ' A' ' 94' ' ' LEU . 18.3 tp -90.18 97.54 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.494 ' HA ' HG22 ' A' ' 65' ' ' VAL . 13.5 mt-30 -75.48 103.25 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.541 HG23 HD21 ' A' ' 94' ' ' LEU . 1.8 p -97.95 143.97 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 m -140.05 104.99 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 2.1 mtt -101.26 103.24 25.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.827 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -85.05 11.56 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 17.5 m -111.08 -60.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.66 149.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.926 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.74 -22.77 9.42 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.299 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 45.0 m-85 -35.74 -47.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.52 HD23 ' C ' ' A' ' 90' ' ' LEU . 4.7 tt -97.59 150.46 21.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.492 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -71.93 95.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 93' ' ' GLN . 2.7 pp -51.95 175.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.625 ' N ' HD12 ' A' ' 92' ' ' LEU . 26.7 tp60 -118.48 143.94 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.76 HD22 HD11 ' A' ' 79' ' ' LEU . 7.3 mt -137.48 155.68 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.69 110.74 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.39 114.05 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 3.2 mmm180 -121.81 134.41 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 p -140.93 165.92 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -71.83 -35.89 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -66.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 101' ' ' LEU . 18.1 mt -40.91 147.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.02 -176.38 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -56.19 -59.0 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' GLN . 11.5 t-80 -55.88 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' HIS . 15.9 mt-30 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -49.55 -61.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -38.91 -45.44 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.64 -46.74 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.12 -64.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -45.01 -62.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -41.2 -54.24 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.58 -45.91 92.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' THR . 8.7 tp -65.18 -64.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.96 0.409 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . 21.0 p -37.37 -57.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.0 t -59.93 -45.88 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 31.6 t80 -50.66 -34.22 25.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.505 HG23 ' HB3' ' A' ' 126' ' ' CYS . 25.3 mm -82.64 -25.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.47 -17.13 61.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 78.6 p -78.14 -46.18 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.3 142.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.59 154.85 73.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.435 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.2 Cg_endo -69.76 153.26 69.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.34 -40.95 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 13.0 pt-20 -92.66 163.39 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.43 153.4 37.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.505 ' HB3' HG23 ' A' ' 117' ' ' ILE . 70.9 m -128.37 -40.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.19 -30.32 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 19.0 t -69.45 -29.02 66.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.37 -43.74 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -47.03 -50.07 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 60.7 mt -44.0 -57.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.13 -59.04 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.4 t90 -39.82 -43.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 135' ' ' GLN . 7.3 mt -65.4 -63.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 134' ' ' LEU . 30.7 mt-30 -35.77 -42.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.57 -44.17 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -92.09 50.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -127.73 -62.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.47 35.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 143' ' ' LEU . 22.0 m -56.88 -27.36 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.53 -40.23 17.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' LEU . 35.2 m-85 -66.35 -51.67 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 140' ' ' SER . 17.4 mt -36.8 104.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.0 -177.54 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -88.37 110.04 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -100.1 106.28 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.86 138.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.9 p -145.91 150.88 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.4 m -155.24 175.25 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.93 93.42 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 141.35 44.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.7 m -155.85 -176.0 5.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -136.73 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -111.9 164.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -144.57 157.85 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.85 -137.69 20.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p 37.62 43.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.4 p -111.98 121.72 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.26 -115.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -53.06 -60.01 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -77.56 168.22 20.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.79 178.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t -87.01 131.74 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.4 t -44.76 -37.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -41.28 -52.2 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -57.03 -64.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.05 -35.29 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -47.68 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.0 -34.44 77.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.844 ' HB3' HD12 ' A' ' 62' ' ' ILE . 1.8 mp0 -63.78 -18.9 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' LEU . 21.8 mt -87.16 -54.62 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.662 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.66 -36.51 64.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 26' ' ' LEU . 9.2 pt-20 -61.94 -18.88 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mmm -77.95 -65.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -45.87 -41.08 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.518 ' HE3' HD12 ' A' ' 21' ' ' LEU . 9.9 ptp -65.22 -38.56 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.636 HD23 ' CE ' ' A' ' 29' ' ' MET . 20.2 mt -71.32 -41.35 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -54.58 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.1 m -67.69 -22.55 65.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.636 ' CE ' HD23 ' A' ' 26' ' ' LEU . 13.6 mtm -77.96 -27.58 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -126.48 72.65 73.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.44 30.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' GLY . 6.6 m-20 -71.91 117.88 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.1 mt-30 35.12 33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 37.06 72.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -39.71 -33.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' ' 64' ' ' PHE . 14.4 t -75.16 108.81 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -100.72 114.03 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.8 109.24 21.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -56.47 -28.3 59.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.59 93.06 3.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -58.94 -16.6 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -98.39 20.42 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.91 -42.51 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.94 -45.11 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -59.63 -57.31 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -43.51 -44.56 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.8 -62.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -43.73 -41.51 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.808 ' O ' HG22 ' A' ' 54' ' ' THR . 36.3 mtp180 -61.25 -38.49 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -68.92 -32.55 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.7 -38.49 85.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.22 -3.73 57.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.88 25.6 66.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 49' ' ' ARG . 5.6 t -98.1 22.2 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.41 130.48 47.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.54 -29.22 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 166.67 11.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -80.83 127.7 74.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.86 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 155.97 64.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.49 21.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -49.84 177.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.844 HD12 ' HB3' ' A' ' 19' ' ' GLN . 84.3 mt -102.14 94.41 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -115.01 133.37 56.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.823 ' CD2' HG13 ' A' ' 36' ' ' VAL . 30.4 p90 -160.67 -179.48 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 79' ' ' LEU . 19.9 t -125.82 129.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.513 HD11 ' HE2' ' A' ' 64' ' ' PHE . 12.6 mt -106.55 128.0 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -86.79 107.25 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -79.24 109.54 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -84.56 78.61 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.87 105.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.36 -41.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -163.92 131.99 2.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.79 128.6 12.87 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.322 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 ttmt -46.9 103.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 142' ' ' PHE . 35.2 m -150.1 173.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -118.36 119.86 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.9 mt -119.17 118.9 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.53 109.01 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.915 HD11 HD22 ' A' ' 94' ' ' LEU . 10.3 tp -95.02 121.63 36.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -93.02 97.96 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -95.75 136.13 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -138.38 110.32 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.417 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -113.69 110.5 49.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -4.16 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' TYR . 2.6 m -95.66 -61.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CE2' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -33.87 149.91 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.68 -3.11 7.39 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.349 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.401 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 6.7 m-30 -38.4 -50.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 90' ' ' LEU . 1.9 pp -104.82 -175.02 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.15 106.93 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.648 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.5 pp -58.22 167.89 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -110.63 128.11 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.915 HD22 HD11 ' A' ' 79' ' ' LEU . 8.2 mt -123.54 151.68 42.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -138.67 112.38 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.88 110.98 3.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.74 139.17 43.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 t -139.91 131.42 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 p -49.92 -28.27 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -81.64 -39.09 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.87 171.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -122.0 176.11 5.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.37 -50.0 71.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -61.06 -47.88 84.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.53 -54.66 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -46.69 -56.0 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.14 -40.23 6.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.2 mt -72.57 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 141' ' ' TYR . 4.2 tp -64.49 -57.9 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -45.47 -62.18 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.67 -33.48 9.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.535 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.419 HD21 HD13 ' A' ' 94' ' ' LEU . 7.4 tp -79.25 -67.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.8 p -38.11 -52.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 -39.2 93.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 t80 -61.51 -43.0 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 117' ' ' ILE . 23.8 mm -75.35 -6.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.72 1.06 88.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 p -100.02 2.17 43.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.331 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.18 160.02 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.47 156.55 39.33 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.82 15.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.48 -35.69 2.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.1 pt-20 -108.26 162.25 14.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -74.15 154.79 38.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.88 -39.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.5 p -51.77 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 23.9 p -56.41 -32.19 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.87 -52.12 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.04 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.5 mt -52.24 -57.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.49 -60.3 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -38.55 -53.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 137' ' ' ASN . 5.7 mt -52.74 -58.12 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 134' ' ' LEU . 65.9 mt-30 -37.28 -58.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -71.39 -26.83 62.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 134' ' ' LEU . 29.8 m120 -102.04 50.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -132.94 -62.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -39.79 -39.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.1 t -57.92 -43.6 86.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.435 ' CE1' HD12 ' A' ' 109' ' ' LEU . 47.1 m-85 -75.21 -4.34 38.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 75' ' ' VAL . 6.5 m-85 -110.8 5.4 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 27.3 mt -115.59 -174.31 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -50.35 -177.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 71.78 41.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.71 120.16 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.86 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.504 HG22 ' H ' ' A' ' 149' ' ' SER . 3.6 p -161.21 166.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.504 ' H ' HG22 ' A' ' 148' ' ' VAL . 8.4 t -135.18 153.23 52.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.61 141.26 6.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -179.79 3.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -161.17 117.42 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 t -122.92 166.58 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.466 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -101.75 42.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 p -146.16 174.84 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -153.32 82.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.7 p 36.88 41.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -132.06 126.08 32.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.0 179.9 45.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.68 178.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -65.39 -68.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.49 174.26 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 t -83.31 123.61 29.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 16' ' ' LEU . 89.9 t -42.45 -28.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -48.36 -47.83 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' GLN . 5.5 mp0 -63.99 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 25.7 p -35.88 -46.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 12' ' ' VAL . 16.9 mt -76.82 -38.58 53.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG3' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -61.71 -58.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD12 ' HG3' ' A' ' 17' ' ' GLN . 9.4 mp -52.87 -32.44 44.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 62' ' ' ILE . 38.0 mt-30 -61.45 -22.52 65.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 47' ' ' ILE . 73.8 mt -83.69 -47.42 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.76 -32.06 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 125' ' ' LEU . 4.0 pt-20 -78.06 -32.85 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.85 -58.7 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.59 -35.92 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 19.8 mtm -69.63 -38.68 77.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD13 ' CZ ' ' A' ' 64' ' ' PHE . 19.7 mt -64.83 -45.33 86.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -54.62 -51.39 65.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 t -48.76 -52.31 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.1 mtm -56.34 -38.68 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -109.95 80.9 1.88 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.69 6.11 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -67.12 128.37 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.49 165.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.36 -47.61 3.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE1' ' CA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -40.76 -62.02 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.709 HG13 ' CD2' ' A' ' 64' ' ' PHE . 61.9 t -99.24 100.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -96.35 109.44 21.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.24 111.94 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -51.52 -29.02 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CG ' ' HB2' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -136.28 120.92 18.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.0 m -81.34 -16.53 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.01 8.09 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . . . -64.07 -48.1 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -67.76 -47.16 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.6 m -50.64 -51.55 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ARG . 86.7 m-20 -54.04 -54.42 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 HD21 ' A' ' 20' ' ' LEU . 69.5 mt -40.36 -50.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.48 -36.53 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 46' ' ' ASN . 30.3 mtp180 -70.14 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -91.98 -37.23 12.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.99 -39.37 93.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' ARG . . . 109.95 -36.92 4.01 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 53' ' ' GLY . 5.5 t -34.65 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 24.4 ttt-85 -117.34 134.07 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -103.09 -54.0 2.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.12 116.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -44.65 120.11 3.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.83 156.16 63.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 129.03 16.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -57.95 162.14 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 19' ' ' GLN . 86.0 mt -89.93 105.6 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.47 127.23 46.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.709 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -153.59 178.16 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.26 126.33 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.578 HD11 ' HE2' ' A' ' 64' ' ' PHE . 63.6 mt -109.09 125.01 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -84.73 124.66 31.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.461 HD11 HG23 ' A' ' 131' ' ' ILE . 4.5 mm? -95.54 95.44 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.04 77.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.8 124.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.42 -53.14 61.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 7.7 tt0 -150.97 122.93 3.97 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.5 Cg_endo -69.75 154.58 93.3 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.347 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -75.96 90.92 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.3 m -135.38 176.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -119.2 137.07 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.81 108.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.73 108.57 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.936 HD11 HD22 ' A' ' 94' ' ' LEU . 25.6 tp -97.19 115.32 27.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.38 100.8 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.0 p -93.47 141.47 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -140.86 115.75 9.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.23 98.75 44.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.703 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 177.33 5.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.77 -7.59 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 58.7 m -91.88 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.71 149.92 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.3 Cg_endo -69.7 -25.56 7.91 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.318 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' PRO . 47.1 m-85 -33.85 -44.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 5.1 tt -101.83 148.92 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.96 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -61.73 177.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -117.02 130.42 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.936 HD22 HD11 ' A' ' 79' ' ' LEU . 10.0 mt -133.24 133.5 42.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.32 115.62 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.72 112.87 2.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -122.38 137.52 54.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -138.12 127.58 24.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -45.91 -49.97 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -53.51 -47.75 69.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 101' ' ' LEU . 13.1 mt -56.14 175.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.14 -178.42 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -73.09 -48.07 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.639 ' HA ' HD23 ' A' ' 107' ' ' LEU . 35.3 t60 -74.02 -25.05 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -77.54 -38.11 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -69.03 -54.15 16.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 107' ' ' LEU . 1.3 pp -45.1 -38.38 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 107' ' ' LEU . 33.0 mt -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 141' ' ' TYR . 6.0 tp -66.55 -63.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -43.12 -61.76 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -52.05 -45.73 64.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.68 72.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.533 HD13 ' HG ' ' A' ' 134' ' ' LEU . 7.5 tp -79.26 -48.99 13.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 119' ' ' THR . 68.4 m -68.4 -37.52 80.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -71.57 -38.31 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 130' ' ' ALA . 18.7 mm -75.02 -28.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.36 -15.94 70.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.53 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 115' ' ' SER . 72.0 p -73.52 -46.62 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 111.119 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -42.19 152.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.36 156.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.7 9.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.47 -19.69 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -118.87 173.3 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 22' ' ' GLU . 38.6 mt -80.07 154.73 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.617 ' HB3' HG23 ' A' ' 117' ' ' ILE . 62.0 m -124.32 -46.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.0 p -46.81 -32.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.41 -35.43 77.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.85 -51.81 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.7 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -40.16 -42.57 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 68' ' ' LEU . 96.3 mt -55.43 -70.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.85 -53.49 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -40.65 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.533 ' HG ' HD13 ' A' ' 113' ' ' LEU . 14.3 mt -40.21 -61.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -38.53 -64.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -59.11 -24.72 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' LEU . 25.2 m-80 -113.48 53.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -124.88 -51.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.62 82.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.408 ' O ' HD12 ' A' ' 143' ' ' LEU . 53.0 m -43.65 -34.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.411 ' CE1' HD12 ' A' ' 109' ' ' LEU . 34.5 m-85 -86.25 -52.46 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.477 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 56.3 m-85 -57.97 -74.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 140' ' ' SER . 14.1 mt 41.22 42.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -156.6 163.71 39.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . 20.8 ttm105 -156.19 149.98 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -141.23 -175.27 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.784 HD22 ' C ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -121.71 160.8 23.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.513 ' N ' HD22 ' A' ' 147' ' ' LEU . 27.5 m -121.92 170.92 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 10.2 t -147.21 175.4 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 141.99 146.94 4.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.13 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.1 p -158.06 177.18 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.1 m -140.84 176.31 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.43 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -147.07 168.36 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -130.49 168.66 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -81.68 -51.02 4.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.9 p 35.87 42.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -55.42 141.53 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.86 -125.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 mtt -59.03 169.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -72.5 -42.04 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.91 -175.53 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -133.34 145.9 50.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 HD12 ' A' ' 16' ' ' LEU . 14.0 t -47.45 -20.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HE2' HD13 ' A' ' 51' ' ' LEU . 2.6 mtpm? -50.19 -62.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -64.05 -50.56 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.8 m -47.99 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD12 HG12 ' A' ' 12' ' ' VAL . 12.1 mt -55.06 -36.64 65.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -56.66 -33.74 66.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.54 -25.29 50.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.895 ' HB3' HD12 ' A' ' 62' ' ' ILE . 69.6 mt-30 -76.59 -20.96 56.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 20' ' ' LEU . 17.9 mt -85.39 -41.42 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -74.75 -38.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp20? -63.56 -28.54 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.96 -39.85 69.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.99 -53.79 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.528 ' HE3' HD11 ' A' ' 21' ' ' LEU . 6.1 mtt -47.93 -35.39 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.81 -51.09 24.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -53.88 -40.48 66.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.7 -44.97 95.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.7 mtm -64.8 -19.81 66.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -122.13 81.16 44.0 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -40.45 5.32 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.38 135.89 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.57 85.94 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.06 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -111.41 -63.6 1.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 64' ' ' PHE . 58.1 t -85.33 127.76 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -118.52 110.11 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.4 mt -94.76 99.58 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -40.31 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -154.39 116.26 4.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 42' ' ' ASN . 27.2 m -69.22 -44.87 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.495 ' N ' HG23 ' A' ' 41' ' ' VAL . 1.7 m-80 -57.32 -12.7 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.0 -45.26 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 44' ' ' LEU . 4.4 mt -61.94 -45.33 94.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ASN . 86.8 m -58.99 -61.61 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' THR . 18.0 m-80 -37.71 -33.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 16' ' ' LEU . 85.7 mt -70.53 -49.25 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -46.56 -41.69 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.68 -30.78 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 12' ' ' VAL . 9.4 t80 -65.56 -29.3 69.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' HE2' ' A' ' 13' ' ' LYS . 4.6 mm? -79.14 -9.44 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -107.02 -30.08 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.76 -9.3 70.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 t -69.13 -1.49 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 111.194 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.49 ' NE ' ' HD3' ' A' ' 59' ' ' PRO . 8.8 ttp-105 -98.55 151.72 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 55' ' ' ARG . 39.0 mt-10 -126.14 -26.48 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LEU . . . -104.9 114.29 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.885 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -37.41 127.36 0.87 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.885 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.7 153.21 69.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.93 143.24 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.895 HD12 ' HB3' ' A' ' 19' ' ' GLN . 86.7 mt -68.24 108.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -128.12 126.86 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.76 ' O ' HG12 ' A' ' 81' ' ' VAL . 4.5 p90 -156.33 165.92 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.717 HG11 ' OD2' ' A' ' 78' ' ' ASP . 58.4 t -114.58 126.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.63 HD11 ' HE2' ' A' ' 64' ' ' PHE . 83.6 mt -106.37 125.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.666 HG23 ' HG3' ' A' ' 76' ' ' LYS . 8.2 m -85.16 99.47 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD21 HD22 ' A' ' 79' ' ' LEU . 4.5 mm? -66.84 93.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -75.39 79.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 135' ' ' GLN . 44.7 mm -50.51 138.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.35 -43.91 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 9.5 tt0 -162.08 121.36 1.43 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.82 148.18 86.34 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.31 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -73.41 93.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.492 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 20.3 m -136.37 172.24 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.666 ' HG3' HG23 ' A' ' 67' ' ' THR . 33.7 tttt -107.64 135.74 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.455 HG23 ' OG ' ' A' ' 98' ' ' SER . 70.1 mt -134.55 99.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.717 ' OD2' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -64.32 114.26 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 94' ' ' LEU . 4.6 tp -110.0 96.82 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -73.19 99.02 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 64' ' ' PHE . 7.9 p -93.63 151.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -142.19 120.48 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.423 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 29.9 mtt -110.49 98.5 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.82 -178.37 2.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -3.52 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 29.6 m -96.58 -62.15 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.31 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.942 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.79 -23.58 9.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 -0.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.455 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 43.6 m-85 -35.28 -46.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 4.8 tt -99.22 154.58 18.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -73.48 103.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.6 pp -57.2 177.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -119.75 125.73 49.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 79' ' ' LEU . 9.9 mt -127.26 137.1 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -140.52 110.97 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.485 ' H ' ' ND2' ' A' ' 110' ' ' ASN . . . -107.04 115.83 4.78 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -118.03 140.12 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.455 ' OG ' HG23 ' A' ' 77' ' ' ILE . 14.6 m -140.15 130.8 25.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -51.16 -36.71 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.76 -48.44 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 105' ' ' GLN . 81.8 mt -62.95 127.93 33.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.45 -179.2 6.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -47.51 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 105' ' ' GLN . 20.1 t60 -41.55 -55.05 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.485 ' HB3' HD22 ' A' ' 101' ' ' LEU . 2.2 mp0 -36.68 -53.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 108' ' ' LEU . 31.3 mt-30 -65.0 -50.58 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp -39.95 -29.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.9 mt -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.44 -59.43 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' ' 96' ' ' GLY . 24.0 m120 -58.83 -64.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -50.17 -55.17 16.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.89 -26.27 47.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.01 -59.99 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.5 p -38.64 -48.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -67.03 -48.1 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.461 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 43.8 t80 -51.64 -39.15 57.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 126' ' ' CYS . 30.2 mm -75.41 -20.12 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.07 -15.64 78.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -78.88 -10.01 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.62 154.39 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.15 149.61 38.93 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.567 0.698 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.455 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.3 Cg_endo -69.76 112.0 2.96 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 -36.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 12.6 pt-20 -97.4 165.94 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.14 152.88 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.513 ' HB3' HG23 ' A' ' 117' ' ' ILE . 27.3 m -124.6 -41.79 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.9 p -51.26 -30.16 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -62.89 -29.13 70.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.57 -46.72 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.52 -37.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.505 HG23 ' CD1' ' A' ' 68' ' ' LEU . 96.7 mt -61.49 -60.14 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.71 -51.52 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 74.3 t90 -47.01 -46.94 22.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.432 HD13 ' HG ' ' A' ' 68' ' ' LEU . 7.4 mt -58.64 -65.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 70' ' ' ILE . 51.1 mt-30 -46.51 -45.57 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -54.68 -55.22 32.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' TYR . 1.7 m-80 -106.97 55.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -104.92 -57.6 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.93 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -54.64 -20.93 9.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 137' ' ' ASN . 16.5 m-85 -90.44 -49.9 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.492 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 23.4 m-85 -54.35 -45.73 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 142' ' ' PHE . 34.1 mt -35.81 -51.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -62.87 105.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.62 -35.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp 46.35 48.33 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.5 tt -130.07 117.35 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.3 t -116.31 135.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 t -133.58 168.03 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -157.89 83.68 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 179.5 3.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 m -135.33 164.51 27.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 56.2 p -160.93 177.9 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -67.71 129.45 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -147.91 150.88 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.76 -104.42 2.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -156.22 111.3 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -85.26 152.35 23.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.7 -134.71 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -113.03 -56.03 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -56.89 124.53 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.36 163.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.7 m -76.08 139.09 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 t -59.88 -32.11 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -44.65 -32.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLN . 8.8 mm-40 -78.5 -67.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' GLU . 45.7 p -38.37 -46.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.77 -38.62 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' GLU . 2.7 tm0? -59.2 -38.2 79.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.75 -28.33 55.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 62' ' ' ILE . 46.2 mt-30 -68.39 -24.64 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.31 -53.87 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.693 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.3 pp -54.1 -40.2 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.605 ' N ' HD12 ' A' ' 21' ' ' LEU . 7.6 pt-20 -56.71 -34.22 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 81.5 mmm -52.87 -43.01 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.39 -37.08 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.422 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 9.6 mtt -70.97 -38.61 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.64 -48.18 56.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -55.66 -48.7 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -54.73 -45.4 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 41.4 mtm -59.88 -37.97 80.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -108.67 80.73 1.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -31.01 21.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -70.21 108.36 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -47.25 140.65 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 -43.64 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -44.97 -63.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG13 ' CD2' ' A' ' 64' ' ' PHE . 57.4 t -93.2 116.31 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -118.19 112.0 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 64' ' ' PHE . 12.7 mt -91.92 94.76 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -43.83 -33.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.91 90.29 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.23 -35.15 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -69.29 -12.19 61.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.84 63.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 38' ' ' LEU . 8.0 mt -53.82 -40.45 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ASN . 98.2 m -68.3 -59.61 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' THR . 4.6 m120 -36.46 -44.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.9 mt -57.26 -65.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -37.65 -41.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' HG22 ' A' ' 54' ' ' THR . 86.6 mtt-85 -59.14 -45.33 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' ILE . 31.5 t80 -70.19 -15.46 62.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.52 -41.76 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.81 -20.14 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.98 23.25 20.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 49' ' ' ARG . 8.3 t -101.38 -4.67 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -122.84 148.39 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.33 -34.25 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.65 128.41 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.644 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -52.84 116.21 8.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.644 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.78 166.77 26.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.65 69.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.46 174.73 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.81 98.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -117.79 131.3 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.518 ' HB3' HD23 ' A' ' 38' ' ' LEU . 6.9 p90 -156.33 176.34 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.09 128.24 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.422 HD11 ' HE2' ' A' ' 64' ' ' PHE . 29.9 mt -107.24 126.62 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -88.41 121.11 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.9 mm? -91.12 101.08 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 77.21 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.6 mm -55.79 122.07 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.11 -44.28 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -167.85 133.47 1.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.75 131.77 20.27 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.37 0.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 8.9 ttmt -52.38 103.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 73' ' ' PRO . 22.5 m -143.16 -176.92 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -123.99 137.01 54.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.44 117.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.99 113.38 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.872 HD11 HD22 ' A' ' 94' ' ' LEU . 22.3 tp -102.12 101.76 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -79.99 95.11 6.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 127' ' ' VAL . 2.2 p -91.64 141.32 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -140.48 107.54 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.535 ' HB3' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -105.7 98.73 18.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.8 Cg_endo -69.73 166.17 28.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -47.97 -23.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 61.1 m -75.47 -66.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.22 149.33 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.694 0.759 . . . . 0.0 110.944 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -25.06 8.25 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.307 0.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -34.16 -43.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.5 tt -100.63 147.58 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.53 99.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 94' ' ' LEU . 4.0 pp -52.58 177.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.495 ' N ' HD12 ' A' ' 92' ' ' LEU . 32.9 tt0 -123.24 122.36 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.872 HD22 HD11 ' A' ' 79' ' ' LEU . 3.9 mt -120.83 147.64 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -145.67 124.55 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.64 138.16 14.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -138.2 135.47 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.596 ' HB3' HD12 ' A' ' 101' ' ' LEU . 32.1 t -140.54 118.67 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -38.14 -42.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.92 -63.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 98' ' ' SER . 95.4 mt -39.92 130.68 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -92.85 160.95 14.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' ASP . 15.9 tpt180 -34.78 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.459 ' NE2' HD11 ' A' ' 108' ' ' LEU . 54.2 t60 -39.55 -50.26 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.32 -70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -39.55 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -65.96 -53.97 32.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 104' ' ' HIS . 98.3 mt -59.74 -29.68 68.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.77 -46.74 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -69.43 -63.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -39.61 -46.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.48 91.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 5.9 tp -62.78 -57.01 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.3 p -40.89 -52.51 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.57 -50.41 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.407 ' CD1' ' CD1' ' A' ' 133' ' ' TRP . 61.0 t80 -51.92 -25.68 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 130' ' ' ALA . 35.9 mm -87.38 -36.26 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.29 -19.7 53.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 120' ' ' PHE . 36.9 p -67.18 -52.65 38.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 129' ' ' ALA . 12.2 m-85 -35.35 142.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.74 156.24 67.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.43 -50.69 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -86.87 162.23 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.2 mt -68.27 151.74 46.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.6 m -125.79 -36.4 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 81' ' ' VAL . 9.0 p -52.31 -36.69 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.7 t -55.71 -34.2 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 120' ' ' PHE . . . -75.8 -51.25 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -40.19 -40.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.78 -65.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.76 -56.91 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t90 -40.13 -62.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -46.19 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -44.34 -59.46 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.15 -44.05 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.19 59.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.4 t -107.4 -59.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -54.92 -45.59 74.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 143' ' ' LEU . 35.7 t -41.11 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 m-85 -91.12 -49.46 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 101' ' ' LEU . 29.9 m-85 -54.05 -46.15 71.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 140' ' ' SER . 63.3 mt -40.54 104.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -154.89 162.28 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -69.38 101.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -153.06 152.26 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.56 ' C ' HD23 ' A' ' 147' ' ' LEU . 8.1 tt -143.0 130.69 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.455 ' N ' HD23 ' A' ' 147' ' ' LEU . 99.2 t -124.1 108.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.092 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.6 m -72.93 170.76 14.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -179.1 145.55 6.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -174.25 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.3 t -116.87 159.19 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 67.5 m -86.77 -67.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -116.21 86.37 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -150.84 157.58 43.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.57 -87.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -70.41 138.5 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -87.3 11.59 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.9 -152.65 7.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ttt -87.32 81.82 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -125.46 101.47 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.87 122.19 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 73.1 m -66.86 131.53 46.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.2 t -36.35 -41.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' O ' HD21 ' A' ' 51' ' ' LEU . 45.5 mttt -36.25 -53.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.47 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -42.31 -55.6 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.705 HD22 HG12 ' A' ' 47' ' ' ILE . 41.2 mt -57.44 -42.53 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' HB3' HD12 ' A' ' 18' ' ' LEU . 3.1 tm0? -49.11 -59.88 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 18' ' ' LEU . 6.2 mp -61.26 -38.08 85.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.779 ' HB3' HD12 ' A' ' 62' ' ' ILE . 15.8 mt-30 -53.9 -23.04 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.479 HD23 HD11 ' A' ' 62' ' ' ILE . 85.7 mt -90.16 -50.93 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.824 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -58.3 -29.61 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.649 ' OE1' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.53 -20.27 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' LEU . 87.5 mmm -78.02 -66.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -41.98 -33.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 14.5 ptp -76.94 -37.85 54.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.649 HD12 ' OE1' ' A' ' 22' ' ' GLU . 16.2 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.11 -39.32 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -73.87 -37.92 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.2 mtp -58.27 -39.8 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' HZ ' HD13 ' A' ' 131' ' ' ILE . 57.9 m-85 -106.29 94.86 10.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.49 37.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.41 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -50.62 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -108.06 -54.47 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' OE1' ' A' ' 35' ' ' GLU . . . -98.84 76.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -134.07 -48.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.403 . . . . 0.0 110.907 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.561 HG13 ' CD2' ' A' ' 64' ' ' PHE . 9.6 t -113.68 102.95 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -102.36 126.5 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.76 118.93 38.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.55 -29.88 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -167.18 109.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -53.98 -22.25 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 9.8 m120 -60.37 -23.92 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.01 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.72 -39.03 87.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ILE . 92.5 m -61.7 -67.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 59' ' ' PRO . 14.2 m-20 -36.26 -32.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.705 HG12 HD22 ' A' ' 16' ' ' LEU . 48.8 mt -71.0 -58.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.25 -32.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 54' ' ' THR . 41.0 mtt180 -71.31 -53.97 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -52.62 -30.37 31.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 13' ' ' LYS . 12.6 mt -59.31 -42.42 91.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -30.08 25.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.78 26.46 8.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 5.8 t -92.92 -40.04 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 11.5 tpp180 -53.29 164.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 10.6 tp10 -109.4 -45.46 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.08 150.39 27.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -56.85 127.92 75.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.835 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 126.55 13.41 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -47.41 162.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.779 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.6 mt -88.1 87.3 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.55 129.99 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' HG13 ' A' ' 36' ' ' VAL . 7.8 p90 -159.83 -179.88 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.8 t -121.77 126.31 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.456 HD11 ' HE2' ' A' ' 64' ' ' PHE . 33.1 mt -106.57 132.7 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.7 m -90.51 133.11 35.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.686 HD11 HG23 ' A' ' 131' ' ' ILE . 4.4 mm? -108.58 103.41 12.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -82.66 95.7 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 73' ' ' PRO . 18.7 mm -71.88 116.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -51.47 -65.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tp10 -133.98 119.25 14.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 177.17 29.74 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.378 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -96.01 99.29 11.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 21.3 m -144.98 176.1 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -118.85 127.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.57 113.44 25.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.796 HD11 HD22 ' A' ' 94' ' ' LEU . 4.4 tp -104.32 103.96 13.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' O ' HD23 ' A' ' 94' ' ' LEU . 4.2 mm100 -74.68 120.75 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.3 p -115.89 140.71 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 106.73 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.429 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -106.88 103.21 46.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.78 -166.28 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.36 10.8 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 38.1 m -110.34 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.58 150.03 0.11 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.666 0.746 . . . . 0.0 110.908 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -24.65 8.46 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.342 -0.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 29.0 m-85 -34.41 -44.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.1 tt -99.91 148.91 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.62 102.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -57.23 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' N ' HD12 ' A' ' 92' ' ' LEU . 36.5 tt0 -125.97 116.45 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 79' ' ' LEU . 8.9 mt -118.53 148.91 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -147.73 121.86 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.24 118.24 5.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -136.74 135.42 38.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 t -137.08 154.45 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -60.46 -47.59 85.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.34 -55.47 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 105' ' ' GLN . 54.0 mt -45.66 137.89 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -95.53 175.15 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -48.3 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.441 ' CD2' HD11 ' A' ' 108' ' ' LEU . 11.8 t60 -46.89 -53.33 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.548 ' HB3' HD22 ' A' ' 101' ' ' LEU . 6.7 mp0 -49.72 -55.73 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -49.36 -59.87 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.0 mt -47.57 -63.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 104' ' ' HIS . 59.4 mt -47.69 -51.19 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.96 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -39.66 -56.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.26 -50.68 58.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.522 HD11 ' HB1' ' A' ' 130' ' ' ALA . 13.2 tp -58.74 -64.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.2 p -37.94 -49.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 t -66.59 -48.92 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 29.5 t80 -49.18 -28.7 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 126' ' ' CYS . 26.4 mm -88.97 -23.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.47 -22.25 69.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -72.07 -20.94 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -67.09 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.98 155.12 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.546 0.689 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.438 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.6 Cg_endo -69.72 119.67 6.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.49 -42.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.546 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.4 pt-20 -99.0 178.15 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.84 153.34 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.662 ' HB3' HG23 ' A' ' 117' ' ' ILE . 10.0 m -125.47 -42.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.86 -23.9 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.49 -38.6 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.81 -52.06 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -38.85 -37.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.686 HG23 HD11 ' A' ' 68' ' ' LEU . 80.8 mt -60.74 -69.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -50.58 -42.9 56.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 89.2 t90 -55.16 -64.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 135' ' ' GLN . 10.5 mt -40.55 -56.2 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 134' ' ' LEU . 8.8 mt-30 -34.43 -63.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.39 -45.73 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -83.95 49.41 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 m -131.98 -55.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.99 -38.61 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 t -62.92 -38.08 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -68.28 -54.98 13.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.487 ' CE1' HD21 ' A' ' 101' ' ' LEU . 25.4 m-85 -51.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 142' ' ' PHE . 31.6 mt -34.35 105.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 145' ' ' ARG . 21.6 t-20 -162.38 133.68 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 144' ' ' ASN . 27.0 ttt180 -35.74 112.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -136.67 142.29 43.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 147' ' ' LEU . 3.3 mm? -109.97 168.76 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 149' ' ' SER . 9.1 m -107.29 -3.78 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 148' ' ' VAL . 11.2 t 35.47 38.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 38.26 89.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 111.7 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.1 t -144.95 130.81 19.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 96.4 p -117.44 162.88 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.1 m -107.34 -44.88 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 93.9 p 38.09 42.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.49 -128.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 70.09 43.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -119.74 108.96 15.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.56 11.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -51.78 -45.5 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -109.99 132.06 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 157.33 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 129.68 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 92.7 t -38.12 -43.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' VAL . 83.8 mttt -34.67 -50.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.9 -68.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -40.09 -64.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.9 mt -40.56 -43.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -54.67 -52.86 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 18' ' ' LEU . 6.5 mp -58.56 -21.47 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.831 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.8 mt-30 -82.35 -18.82 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD11 ' CG2' ' A' ' 47' ' ' ILE . 82.6 mt -92.21 -27.1 17.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -81.27 -32.96 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.637 ' OE1' HD22 ' A' ' 125' ' ' LEU . 10.7 pt-20 -75.69 -33.78 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.6 mmm -60.63 -57.67 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.87 -29.93 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.8 mtm -78.16 -24.91 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.5 -46.71 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -51.62 -51.13 58.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -58.06 -36.67 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.3 mtm -67.6 -23.68 65.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -121.74 83.79 42.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -39.34 6.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -41.31 108.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.84 95.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.77 41.67 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -109.14 -56.18 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' A' ' 64' ' ' PHE . 93.4 t -94.45 116.93 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.575 ' CG ' ' HB ' ' A' ' 65' ' ' VAL . 11.1 ptpt -106.48 118.59 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 64' ' ' PHE . 10.6 mt -103.67 125.8 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -62.31 -25.74 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -149.48 113.34 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.68 -19.63 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.1 m-80 -85.52 15.06 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.15 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.38 -45.94 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -58.18 -59.1 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 72.0 m-20 -39.76 -47.46 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.492 ' CG2' HD11 ' A' ' 20' ' ' LEU . 67.4 mt -54.2 -63.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.0 mtpt -38.02 -31.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 57.2 mtp180 -77.36 -42.61 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' ILE . 40.0 t80 -66.13 -12.46 55.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 48' ' ' LYS . 85.6 mt -86.85 -46.44 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.24 -24.91 67.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.79 -23.75 21.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 t -51.81 -31.11 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.149 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -110.14 122.53 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.78 -39.23 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 133.95 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.677 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -62.11 123.43 77.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.79 158.15 57.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.81 22.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -53.51 160.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.0 mt -91.06 91.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.93 55.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.525 ' CD2' HG13 ' A' ' 36' ' ' VAL . 16.7 p90 -152.56 176.43 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.575 ' HB ' ' CG ' ' A' ' 37' ' ' LYS . 55.4 t -116.02 128.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.511 HD11 ' HE2' ' A' ' 64' ' ' PHE . 39.8 mt -108.32 131.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.6 m -92.42 120.56 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.7 102.44 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -75.51 71.95 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 mm -55.41 115.99 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.48 -57.16 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.0 tt0 -147.28 123.86 5.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.75 148.89 87.63 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.322 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -72.24 97.88 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.8 m -140.57 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -127.26 133.53 50.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.7 mt -133.4 125.96 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 115.71 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.604 HD11 HD22 ' A' ' 94' ' ' LEU . 13.3 tp -108.6 95.88 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -75.06 100.62 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.547 HG23 HD21 ' A' ' 94' ' ' LEU . 3.0 p -94.87 145.29 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -140.58 113.75 8.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.51 ' CE ' HG11 ' A' ' 127' ' ' VAL . 8.0 mtt -104.05 98.62 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.35 42.42 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -50.85 -17.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' TYR . 38.5 m -82.84 -64.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.695 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -35.09 149.11 0.11 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.732 0.777 . . . . 0.0 110.856 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.5 Cg_endo -69.75 -24.56 8.5 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.342 -0.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 5.6 m-85 -33.25 -43.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 91' ' ' ALA . 8.7 tt -100.59 154.82 18.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.769 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -74.54 92.65 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -46.12 173.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -119.42 121.76 40.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.604 HD22 HD11 ' A' ' 79' ' ' LEU . 7.9 mt -115.85 136.29 53.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -132.29 102.86 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.86 120.73 6.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -128.16 146.47 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -140.54 136.18 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.9 p -52.4 -45.03 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.23 -54.13 48.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 105' ' ' GLN . 65.7 mt -54.93 145.42 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -105.03 176.23 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -47.1 -53.49 12.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.68 -44.23 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.543 ' HB3' HD22 ' A' ' 101' ' ' LEU . 12.6 mm100 -65.65 -70.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 105' ' ' GLN . 23.0 mt-30 -35.61 -39.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.7 OUTLIER -66.25 -56.46 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.85 -45.99 71.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.54 -64.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -48.14 -56.82 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -52.57 -51.57 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.11 -41.25 92.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' TYR . 6.9 tp -69.74 -65.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LEU . 39.3 p -34.85 -48.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 119' ' ' THR . 14.1 m -64.72 -43.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 13.1 t80 -59.44 -25.48 64.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 130' ' ' ALA . 26.1 mm -91.2 -35.1 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.55 -7.05 9.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 115' ' ' SER . 22.3 p -92.06 -8.52 45.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -73.64 147.79 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.28 152.1 52.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.9 Cg_endo -69.77 131.8 21.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.34 -40.37 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.74 165.24 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.637 HD22 ' OE1' ' A' ' 22' ' ' GLU . 29.8 mt -76.46 152.37 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.6 m -127.51 -54.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.51 HG11 ' CE ' ' A' ' 83' ' ' MET . 10.0 p -43.25 -33.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 38.6 t -60.67 -40.63 92.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' ALA . . . -75.97 -50.58 14.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -37.5 -50.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.19 -65.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -54.8 -48.19 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.559 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.8 t90 -48.38 -50.93 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 79' ' ' LEU . 8.2 mt -55.24 -58.63 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 134' ' ' LEU . 32.6 mt-30 -34.81 -49.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.09 -45.27 42.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -90.04 38.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 m -125.62 -43.8 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.66 67.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 p -63.27 -19.19 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -85.94 -53.14 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 5.4 m-85 -42.05 -54.45 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' PHE . 44.6 mt -35.1 98.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 142' ' ' PHE . 2.4 t-20 -171.84 118.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -47.35 119.91 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.495 ' HE3' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -174.97 109.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 147' ' ' LEU . 1.7 pt? -126.1 149.24 49.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 174.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 94.3 p -153.41 145.35 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.67 140.91 3.0 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.2 t -151.44 169.77 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.7 m -146.11 166.16 26.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -149.99 148.84 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -42.31 -47.89 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.56 -168.59 38.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -111.47 159.01 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -93.28 42.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.96 -50.25 3.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 tpp -122.02 44.8 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -149.76 160.84 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.79 174.87 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -116.94 137.44 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -44.28 -41.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.897 ' HG2' HD23 ' A' ' 51' ' ' LEU . 12.4 mtmm -41.49 -59.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.98 -49.07 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 63.2 m -45.03 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.87 -40.07 83.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -49.46 -55.19 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.12 -24.41 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -80.15 -15.27 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 13.9 mt -82.77 -36.35 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -71.82 -36.08 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 25' ' ' MET . 22.2 pt-20 -68.43 -22.33 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.6 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -60.41 -34.49 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.23 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.495 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 9.0 ptp -46.2 -41.19 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.51 -46.92 87.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 23' ' ' MET . 18.2 m-85 -59.01 -49.57 77.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -56.66 -43.9 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 mtm -61.44 -17.07 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 131' ' ' ILE . 74.2 m-85 -127.02 85.12 61.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.59 18.27 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.43 157.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -103.15 110.84 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 32.45 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -98.76 -69.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.18 105.83 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -95.59 103.13 14.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -84.99 109.55 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -46.98 -33.78 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.787 ' CG ' ' HB2' ' A' ' 43' ' ' ALA . 10.7 p-10 -138.84 132.57 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.27 -32.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.4 p30 -79.14 2.38 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.787 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . . . -63.03 -39.79 95.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 44' ' ' LEU . 5.6 mt -69.41 -45.91 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.621 HG22 ' HD3' ' A' ' 49' ' ' ARG . 98.1 m -59.95 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 50.1 m-80 -33.77 -38.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.544 ' CD1' HD11 ' A' ' 62' ' ' ILE . 94.7 mt -63.76 -52.19 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' THR . 74.2 mttt -55.24 -59.04 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.621 ' HD3' HG22 ' A' ' 45' ' ' THR . 1.5 mpt_? -44.74 -52.94 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' GLY . 1.2 t80 -54.54 -51.44 65.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.897 HD23 ' HG2' ' A' ' 13' ' ' LYS . 11.2 mt -46.2 -21.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -30.18 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 96.71 28.89 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 t -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -133.33 81.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -43.15 -48.8 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.7 114.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.776 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.19 126.41 15.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.776 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 154.29 67.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.76 134.42 27.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.31 150.87 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 47' ' ' ILE . 82.1 mt -79.3 88.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.07 126.56 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CE1' HG11 ' A' ' 81' ' ' VAL . 17.9 p90 -151.67 179.93 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG22 ' OE1' ' A' ' 80' ' ' GLN . 21.7 t -127.34 126.54 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.53 124.94 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.1 m -76.95 121.96 24.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.54 94.22 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.03 78.96 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.55 115.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -44.94 -42.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -165.86 131.25 1.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.2 Cg_endo -69.72 127.93 11.66 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.307 -0.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 1.3 tppt? -49.69 91.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' PRO . 34.7 m -134.18 -176.77 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -123.53 128.51 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.4 mt -129.72 99.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 113.62 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD11 HD22 ' A' ' 94' ' ' LEU . 15.1 tp -104.16 109.56 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.483 ' OE1' HG22 ' A' ' 65' ' ' VAL . 31.6 mm-40 -90.58 102.15 14.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 94' ' ' LEU . 1.3 p -92.01 144.41 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 m -136.86 106.78 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.403 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -106.83 98.65 21.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.242 . . . . 0.0 112.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.438 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -73.97 -1.1 18.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 25.5 m -97.38 -62.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.79 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -34.18 147.5 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.739 . . . . 0.0 110.936 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 52.8 Cg_endo -69.8 -24.89 8.35 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.314 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.5 m-85 -33.93 -42.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 2.7 tt -101.61 149.74 23.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.46 94.79 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.79 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -48.99 177.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -127.48 122.49 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD22 HD11 ' A' ' 79' ' ' LEU . 5.5 mt -114.29 147.69 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.15 109.91 6.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.01 114.35 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.4 ptt85 -134.91 147.38 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -140.95 148.34 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.8 p -48.02 -39.01 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.01 -37.07 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 101' ' ' LEU . 12.1 mt -77.97 125.51 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -88.16 176.94 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -58.28 -37.76 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.605 ' HA ' HD23 ' A' ' 107' ' ' LEU . 72.1 t60 -65.58 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 108' ' ' LEU . 18.0 mt-30 -41.66 -41.85 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -56.06 -47.23 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 104' ' ' HIS . 0.6 OUTLIER -55.58 -40.39 71.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 105' ' ' GLN . 12.1 mt -66.98 -53.1 34.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.477 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 7.7 tp -53.05 -54.57 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' GLY . 29.7 m-80 -56.9 -65.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -40.09 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -83.23 -40.15 9.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.636 HD21 HD13 ' A' ' 94' ' ' LEU . 3.3 tp -74.72 -55.57 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 20.6 p -34.91 -59.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 119' ' ' THR . 19.1 m -55.93 -57.66 11.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.48 -31.86 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.787 HG23 ' HB3' ' A' ' 126' ' ' CYS . 16.2 mm -81.64 -33.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.18 -5.49 89.61 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 115' ' ' SER . 80.7 p -78.1 -12.91 60.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -75.72 -177.38 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.7 160.13 29.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.15 -20.99 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.93 170.74 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 21' ' ' LEU . 47.2 mt -95.91 142.02 28.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.787 ' HB3' HG23 ' A' ' 117' ' ' ILE . 56.3 m -115.57 -48.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -41.22 -34.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.58 -40.85 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 126' ' ' CYS . . . -76.83 -45.36 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.607 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -39.47 -50.92 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.413 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 94.7 mt -53.1 -74.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -44.42 -55.55 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 86.8 t90 -44.67 -54.35 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.69 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -42.32 -55.97 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.22 -37.82 78.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -112.48 62.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.5 t -125.54 -46.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.72 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.841 ' HA ' HD12 ' A' ' 143' ' ' LEU . 6.3 t -44.55 -33.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 109' ' ' LEU . 12.3 m-85 -80.2 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 143' ' ' LEU . 11.3 m-85 -41.79 -48.09 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 140' ' ' SER . 19.1 mt -35.79 107.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -142.39 140.18 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -58.62 129.17 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -158.91 140.66 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -142.78 154.85 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.7 t -147.84 133.99 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 33.0 p -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 163.01 149.23 5.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 152' ' ' SER . 53.5 Cg_endo -69.7 -43.27 2.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 151' ' ' PRO . 23.2 t -35.59 -66.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.4 t -69.52 123.02 20.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -167.75 144.62 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -107.14 151.15 25.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.1 117.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -88.77 158.96 17.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 p -98.24 -20.47 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.05 -170.41 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -109.65 41.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -134.77 156.57 48.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.19 173.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' VAL . 75.6 m -145.08 138.87 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 87.5 t -36.72 -36.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' CG ' HD23 ' A' ' 51' ' ' LEU . 17.2 mtmm -44.42 -56.3 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' SER . 10.0 mm-40 -54.49 -66.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.2 p -36.21 -60.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.86 -34.03 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.543 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -61.38 -56.17 23.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.22 -26.19 50.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.709 ' HB3' HD12 ' A' ' 62' ' ' ILE . 75.0 mt-30 -70.39 -15.26 62.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.7 mt -88.76 -44.2 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -60.21 -33.93 72.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.82 -32.43 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.15 -45.33 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 25' ' ' MET . 8.6 pt-20 -70.02 -42.69 72.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.409 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 14.8 mtm -60.57 -34.0 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.12 -51.23 48.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -51.33 -43.94 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -58.24 -41.54 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 mtm -71.52 -20.17 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 76.6 m-85 -118.97 84.67 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.0 4.64 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.0 134.42 57.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.76 -41.45 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.46 56.96 4.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -128.8 -65.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 64' ' ' PHE . 95.9 t -104.98 121.71 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -113.34 118.19 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 64' ' ' PHE . 13.7 mt -112.64 109.73 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -40.02 -37.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -150.52 126.28 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.57 -15.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -72.44 -10.28 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.79 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD21 ' SD ' ' A' ' 23' ' ' MET . 9.4 mt -72.27 -36.48 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.3 m -65.76 -57.71 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -38.6 -45.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' TYR . 93.0 mt -56.44 -62.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -39.62 -44.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 54' ' ' THR . 83.8 mtt180 -62.78 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.7 t80 -60.89 -52.36 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.524 HD23 ' CG ' ' A' ' 13' ' ' LYS . 50.6 mt -47.37 -35.08 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.66 -29.91 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.82 50.98 3.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 49' ' ' ARG . 8.8 t -119.92 -8.54 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 111.124 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -126.11 118.36 25.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.99 -49.78 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 119.81 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -48.06 130.34 12.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.916 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.8 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 152.25 69.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -49.41 173.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 19' ' ' GLN . 79.8 mt -101.09 95.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -116.78 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.565 ' HD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -153.64 -177.99 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.6 t -129.1 126.53 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.71 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 47.5 mt -107.55 137.2 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 76' ' ' LYS . 79.3 m -93.81 116.03 28.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.429 HD21 HD22 ' A' ' 79' ' ' LEU . 4.5 mm? -81.18 93.39 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -74.44 86.7 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.6 mm -64.44 106.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -39.63 -47.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.8 tt0 -160.91 125.26 2.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.73 148.11 85.99 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 -1.816 . . . . 0.0 112.367 -0.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.57 101.14 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.11 172.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HG3' HG23 ' A' ' 67' ' ' THR . 13.3 ttmt -114.6 131.5 56.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.2 mt -135.32 112.45 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.86 117.76 18.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.834 HD11 HD22 ' A' ' 94' ' ' LEU . 10.8 tp -105.46 106.19 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -81.2 97.5 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 94' ' ' LEU . 5.2 p -94.12 143.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.9 m -136.04 118.21 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.445 ' CE ' HG11 ' A' ' 127' ' ' VAL . 12.4 mtt -111.26 98.59 40.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.521 0.677 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.7 173.03 11.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.22 -2.69 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.473 ' CB ' HD23 ' A' ' 90' ' ' LEU . 3.2 m -95.83 -63.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.04 149.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.715 0.769 . . . . 0.0 110.873 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.8 Cg_endo -69.79 -4.31 8.26 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -38.92 -51.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 90' ' ' LEU . 2.8 pp -104.96 -174.15 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.612 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -96.86 100.42 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.4 pp -45.67 171.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -117.3 119.0 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.834 HD22 HD11 ' A' ' 79' ' ' LEU . 9.2 mt -117.72 142.18 47.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -146.34 114.66 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.83 119.57 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.26 138.19 52.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -140.2 163.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -83.75 -43.11 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.92 -34.68 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.45 151.31 46.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ARG . 9.3 m-20 -112.09 157.3 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 19.8 ttp-105 -37.09 -63.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -45.85 -58.72 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LEU . 9.2 mm100 -51.5 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' GLN . 22.6 mt-30 -36.75 -50.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.0 -43.0 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLN . 36.5 mt -65.74 -50.87 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.1 -59.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -54.48 -65.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -44.02 -50.45 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.3 -43.25 98.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.28 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.9 p -40.5 -54.12 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -60.42 -43.16 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.35 -37.53 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' A' ' 126' ' ' CYS . 47.6 mm -79.63 -29.9 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.08 52.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.7 p -71.35 -47.19 57.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -40.43 148.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.05 157.88 37.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 151.29 68.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.13 -41.8 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -97.58 168.28 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.17 148.58 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.529 ' HB3' HG23 ' A' ' 117' ' ' ILE . 56.4 m -122.24 -43.14 2.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.445 HG11 ' CE ' ' A' ' 83' ' ' MET . 5.2 p -47.96 -30.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.89 -39.69 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -45.37 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -43.34 -52.15 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 61.5 mt -43.26 -61.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -59.0 -45.86 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -52.45 -41.32 63.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 79' ' ' LEU . 6.2 mt -65.74 -62.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 134' ' ' LEU . 66.0 mt-30 -36.52 -49.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.56 -55.97 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -81.81 47.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 m -130.69 -60.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.91 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -59.89 -45.75 91.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -51.7 -42.2 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.13 -57.34 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.6 mt -43.69 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -144.37 154.24 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -94.66 138.44 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -131.08 147.13 52.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.5 tp -126.29 143.05 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.9 p -143.11 147.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.3 p -135.52 169.01 18.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.8 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.71 83.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.01 29.01 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 m -170.0 179.44 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.4 t -103.09 155.09 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -135.71 141.45 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -138.44 146.73 42.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.87 179.15 16.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -152.06 163.89 38.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -108.34 171.28 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.72 -141.21 15.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mtt -84.81 -38.2 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m -83.36 149.91 26.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.21 177.74 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' LYS . 66.1 m -81.75 115.95 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 11' ' ' SER . 25.3 t -35.72 -30.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' SER . 57.0 mttp -37.92 -55.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -51.6 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 16' ' ' LEU . 5.0 p -43.08 -58.74 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.621 HD13 HG23 ' A' ' 47' ' ' ILE . 14.5 mt -53.86 -34.43 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -64.35 -53.68 44.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.88 -15.78 56.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.537 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.5 mt-30 -85.14 -16.4 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.5 -50.87 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.52 -39.5 91.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.572 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.7 pt-20 -54.88 -36.12 64.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.1 mmm -52.71 -50.28 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.76 -37.19 63.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.7 mtt -70.78 -39.73 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.82 -35.82 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.71 -38.38 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -65.36 -38.69 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.5 mtp -69.01 -25.45 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 131' ' ' ILE . 64.8 m-85 -117.39 81.41 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.42 20.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 m120 -65.9 92.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -45.6 90.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 163.64 -49.82 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -38.04 -56.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 64' ' ' PHE . 75.7 t -85.46 103.82 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -97.09 110.87 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.68 119.82 30.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.81 -32.86 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -152.73 130.13 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 m -70.63 -12.17 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -98.47 10.97 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.15 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD2' HG12 ' A' ' 62' ' ' ILE . 5.2 mt -80.76 -42.92 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -58.93 -55.59 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -45.75 -30.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.621 HG23 HD13 ' A' ' 16' ' ' LEU . 89.1 mt -78.19 -43.36 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.37 -38.77 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 54' ' ' THR . 51.7 mtp85 -67.72 -24.63 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 5.3 t80 -75.26 -35.42 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.48 -44.29 97.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.62 -27.62 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.44 26.14 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 49' ' ' ARG . 5.1 t -101.82 3.45 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -139.61 113.45 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -80.83 -51.95 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.52 118.3 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -49.93 116.04 5.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.666 0.746 . . . . 0.0 110.901 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.9 4.78 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -52.98 176.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 19' ' ' GLN . 34.0 mt -94.7 98.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -120.15 124.34 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.522 ' HE2' HD11 ' A' ' 66' ' ' ILE . 2.7 p90 -149.18 179.95 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -121.01 124.46 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.522 HD11 ' HE2' ' A' ' 64' ' ' PHE . 32.5 mt -106.54 128.22 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.8 m -88.09 133.47 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.428 HD12 ' CG ' ' A' ' 135' ' ' GLN . 4.3 mm? -99.78 108.23 20.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.14 77.94 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.459 ' N ' HD13 ' A' ' 70' ' ' ILE . 4.8 mm -57.28 122.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.57 -51.71 68.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 tt0 -155.98 123.92 2.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 151.31 91.28 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.34 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.99 97.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.16 172.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -120.61 133.96 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -132.6 104.76 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 113.5 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.946 HD11 HD22 ' A' ' 94' ' ' LEU . 20.7 tp -105.28 124.48 49.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -97.8 100.05 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.543 HG23 HD21 ' A' ' 94' ' ' LEU . 2.2 p -90.7 127.61 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -129.35 96.82 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.511 ' HE1' HG21 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -84.0 117.92 69.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.424 ' HG2' HD11 ' A' ' 90' ' ' LEU . 53.9 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -97.01 9.22 42.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.605 ' CB ' HD12 ' A' ' 90' ' ' LEU . 28.2 m -113.35 -54.75 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.81 150.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.703 0.763 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.76 -5.2 8.75 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.5 m-30 -34.34 -44.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.674 HD22 ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -128.98 173.72 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.674 ' N ' HD22 ' A' ' 90' ' ' LEU . . . -74.23 114.43 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.591 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -62.95 -174.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -107.38 135.4 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 79' ' ' LEU . 11.5 mt -140.34 142.65 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -149.53 113.37 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.18 120.67 6.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -113.44 134.6 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -139.39 152.94 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.5 p -74.89 -36.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.24 -52.36 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 61.1 mt -51.07 146.85 5.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -109.45 164.29 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -43.39 -53.96 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.79 -65.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLN . 10.9 mm100 -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 105' ' ' GLN . 1.1 tt0 -34.41 -59.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.84 -57.13 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -48.83 -55.09 12.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -57.63 9.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -52.53 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -43.17 -53.24 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.03 -34.07 77.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.44 -60.59 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.5 p -42.96 -61.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.1 t -49.82 -50.97 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 133' ' ' TRP . 18.4 t80 -52.32 -29.24 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 126' ' ' CYS . 23.5 mm -85.25 -18.12 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.08 -11.99 84.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.3 p -76.34 -35.39 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.35 156.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.96 156.96 41.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 105.42 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.17 -45.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.3 mm-40 -79.67 176.8 9.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.64 142.18 28.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.638 ' HB3' HG23 ' A' ' 117' ' ' ILE . 77.1 m -115.69 -40.25 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.511 HG21 ' HE1' ' A' ' 83' ' ' MET . 11.3 p -51.88 -29.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.05 -24.21 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.13 -28.18 18.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.28 74.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 96.3 mt -65.14 -65.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -53.97 -37.64 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.442 ' CD1' ' CE2' ' A' ' 116' ' ' TYR . 88.7 t90 -61.35 -46.22 91.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' SER . 8.0 mt -59.05 -56.24 24.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.428 ' CG ' HD12 ' A' ' 68' ' ' LEU . 45.4 mt-30 -51.66 -53.66 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.69 -36.79 84.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -111.74 43.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.1 t -107.74 -55.54 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' PHE . . . -52.0 -49.23 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.7 t -42.29 -38.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -79.97 -30.81 39.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.495 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 26.5 m-85 -85.38 -67.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' PHE . 14.6 mt 35.38 44.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.29 -64.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -136.9 164.67 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -112.58 40.2 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.5 pp -159.3 -177.12 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 94.9 t -133.32 129.62 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.2 t -174.49 148.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.14 141.2 12.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.57 69.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.1 p -138.5 165.23 27.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 49.0 m -132.54 172.87 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -57.5 118.61 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -112.38 117.86 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.68 55.1 4.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -161.12 132.64 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -76.91 -56.59 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.01 -147.56 8.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.2 mtm -68.23 -53.16 26.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -72.1 147.53 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.84 166.86 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -78.98 136.18 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 52.7 t -50.26 -44.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' VAL . 47.4 mttt -36.71 -53.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -52.3 -67.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -38.46 -63.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.778 HD13 HG23 ' A' ' 47' ' ' ILE . 46.7 mt -45.16 -37.21 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -45.15 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 18' ' ' LEU . 4.0 mp -74.13 -23.06 59.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.665 ' OE1' HD23 ' A' ' 16' ' ' LEU . 10.7 mt-30 -69.64 -30.06 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 62' ' ' ILE . 46.3 mt -88.66 -23.75 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.2 mt -62.13 -58.02 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.907 ' OE1' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -47.07 -39.07 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 55.6 mmm -44.53 -51.7 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.92 -41.18 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 29.0 mtt -70.87 -65.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.907 HD12 ' OE1' ' A' ' 22' ' ' GLU . 75.0 mt -41.98 -44.96 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 23' ' ' MET . 9.3 m-85 -57.81 -47.19 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -62.99 -38.27 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.2 mtm -71.01 -26.49 63.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -126.46 80.48 69.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.54 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 32.2 m-20 -49.76 118.07 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 92.36 -38.61 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.438 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.8 mm-40 -36.13 -71.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG13 ' CD2' ' A' ' 64' ' ' PHE . 53.8 t -90.89 89.65 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -73.86 112.1 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.56 119.01 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -48.94 -36.49 17.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -146.88 129.29 15.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 m -71.83 -14.3 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.78 14.23 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.65 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.4 -54.37 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.7 m -50.24 -52.98 31.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -44.11 -43.4 6.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.778 HG23 HD13 ' A' ' 16' ' ' LEU . 69.6 mt -62.38 -49.17 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.9 mttp -48.04 -41.58 26.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 54' ' ' THR . 24.9 mtp85 -64.98 -31.95 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 21.6 t80 -78.31 -13.5 59.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 48' ' ' LYS . 71.7 mt -86.21 -7.23 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' HG3' HG22 ' A' ' 54' ' ' THR . 5.3 pt-20 -113.68 -22.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.25 -20.9 29.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.529 HG22 ' HG3' ' A' ' 52' ' ' GLU . 9.5 t -56.02 -17.68 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.53 136.39 39.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -96.12 -31.2 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.74 144.72 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD22 ' HD2' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -51.62 123.45 23.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD2' HD22 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.76 160.14 50.79 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.11 17.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -52.16 170.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.623 HD11 HD23 ' A' ' 20' ' ' LEU . 37.7 mt -93.1 95.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.94 126.05 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.662 ' CD2' HG13 ' A' ' 36' ' ' VAL . 44.6 p90 -154.01 -179.98 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -130.89 135.01 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.9 mt -107.48 135.8 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.0 m -95.63 107.9 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.94 111.32 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.46 81.76 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.7 mm -61.67 118.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.09 -45.04 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 pm0 -161.44 130.78 3.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' VAL . 54.1 Cg_endo -69.73 127.71 11.31 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.397 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 2.8 tppt? -45.85 90.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 73' ' ' PRO . 28.2 m -141.72 154.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -97.97 132.68 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.1 mt -129.47 115.52 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.75 119.09 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 94' ' ' LEU . 8.4 tp -110.43 105.37 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.9 116.31 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.9 p -110.64 127.68 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 m -127.13 99.0 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 87' ' ' TYR . 1.7 mtm -102.07 110.59 62.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.77 -165.88 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -82.94 -4.69 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 25.9 m -90.15 -58.58 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.654 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -37.06 150.14 0.15 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.678 0.751 . . . . 0.0 110.926 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.81 8.38 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.321 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 15.5 m-85 -34.08 -45.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 5.2 tt -100.87 150.52 22.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -70.54 113.83 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.3 pp -69.42 179.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.476 ' N ' HD12 ' A' ' 92' ' ' LEU . 6.6 tp60 -121.49 123.93 43.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 79' ' ' LEU . 8.3 mt -126.04 123.42 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.71 119.91 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.76 133.43 11.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -133.83 137.86 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 101' ' ' LEU . 44.1 t -138.43 145.41 40.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 m -76.12 -8.21 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -101.42 -46.08 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.739 HD21 ' CE1' ' A' ' 142' ' ' PHE . 15.1 mt -65.68 148.86 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -98.51 172.98 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.541 ' O ' HD23 ' A' ' 107' ' ' LEU . 29.4 ttm180 -52.94 -61.88 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -48.2 -52.3 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -54.53 -60.31 3.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -38.74 -57.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 103' ' ' ARG . 4.3 mm? -39.47 -47.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.78 -54.07 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.68 -61.22 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -48.22 -61.41 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HE3' HD12 ' A' ' 107' ' ' LEU . 34.9 mttt -43.38 -56.32 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.14 62.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 11.2 tp -68.83 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.92 0.39 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.3 p -37.91 -46.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -70.03 -43.39 71.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.475 ' CD2' ' CD1' ' A' ' 133' ' ' TRP . 42.8 t80 -57.02 -19.63 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' A' ' 126' ' ' CYS . 36.5 mm -97.24 -12.26 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.92 6.02 68.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.3 p -102.13 -14.15 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -68.9 160.23 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.71 153.31 37.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.68 3.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.61 -39.07 1.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.05 164.71 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.06 152.22 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' A' ' 117' ' ' ILE . 33.8 m -124.29 -28.05 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.5 p -63.48 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.48 -34.04 77.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.31 -45.54 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.24 -47.6 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.42 HD11 ' CD2' ' A' ' 26' ' ' LEU . 72.4 mt -48.41 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -55.41 -58.3 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.475 ' CD1' ' CD2' ' A' ' 116' ' ' TYR . 44.0 t90 -38.83 -44.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.664 HD11 HD13 ' A' ' 79' ' ' LEU . 6.7 mt -59.7 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' LEU . 28.1 mt-30 -36.22 -55.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.42 -46.83 78.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.45 54.3 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -131.5 -66.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -40.62 -54.38 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 t -44.68 -43.05 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.77 -36.74 83.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.739 ' CE1' HD21 ' A' ' 101' ' ' LEU . 18.1 m-85 -75.36 -63.41 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 142' ' ' PHE . 84.9 mt -34.85 105.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -140.04 161.98 36.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 ttp85 -53.66 104.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -155.87 114.36 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 147' ' ' LEU . 3.5 mm? -83.39 130.79 35.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 29.9 m -75.87 131.13 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 47.9 t -69.52 -67.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 116.64 -158.51 14.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.304 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.5 t -70.69 -61.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.3 m -65.78 117.62 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -116.24 120.87 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -74.19 -56.01 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.58 -73.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -55.78 125.26 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -168.68 125.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.81 -150.97 20.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.541 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 9' ' ' SER . 16.3 ptm -117.51 -47.54 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.316 . . . . 0.0 110.817 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 8' ' ' MET . 3.4 t -82.34 134.1 35.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.61 151.75 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 137.1 46.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG12 HD12 ' A' ' 16' ' ' LEU . 46.8 t -45.95 -25.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -44.05 -64.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -38.54 -65.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 12' ' ' VAL . 17.9 mt -49.28 -55.89 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.82 -51.18 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.8 mt -52.02 -35.82 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.9 mt-30 -62.33 -42.38 99.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.52 -30.28 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.3 mt -61.36 -55.62 29.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.762 ' HB3' HD13 ' A' ' 125' ' ' LEU . 2.8 pt-20 -56.83 -33.26 66.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 80.6 mmm -57.56 -56.83 16.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.24 -21.07 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.3 mtt -88.04 -28.81 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD11 ' OE1' ' A' ' 22' ' ' GLU . 11.0 mt -76.3 -40.86 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -55.62 -53.21 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -34.94 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -68.5 -32.22 72.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -118.11 80.79 15.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.41 93.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -38.9 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.85 -44.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.31 -65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.59 HG13 ' CD2' ' A' ' 64' ' ' PHE . 91.2 t -90.33 128.94 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -118.05 111.53 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.96 104.54 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -43.22 -35.92 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.65 109.22 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 m -58.17 -17.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -68.79 -14.0 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 -45.96 80.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.9 mt -66.47 -39.65 88.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -63.85 -56.95 11.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -44.09 -30.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' ARG . 69.4 mt -71.8 -62.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 51' ' ' LEU . 29.2 mttm -38.73 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' ILE . 93.2 mtt-85 -68.94 -53.58 20.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.3 t80 -50.66 -45.86 58.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 48' ' ' LYS . 14.7 mt -44.45 -32.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -30.13 20.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 101.17 26.4 7.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.434 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -104.47 20.67 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tpm_? -107.87 117.15 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -69.09 -14.43 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -149.19 170.55 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.828 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -70.87 127.5 91.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.828 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.73 158.92 55.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -45.68 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 19' ' ' GLN . 88.6 mt -95.97 100.17 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -123.19 124.18 42.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.6 p90 -149.56 -179.06 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 t -124.06 124.98 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.56 HD11 ' HE2' ' A' ' 64' ' ' PHE . 23.3 mt -107.32 125.53 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -89.75 106.82 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 131' ' ' ILE . 4.4 mm? -70.97 98.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -72.6 81.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.6 mm -66.88 109.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -47.15 -47.15 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.7 pt-20 -158.47 131.92 4.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.3 Cg_endo -69.74 128.33 12.36 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.364 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 tptt -48.16 94.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.405 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 32.8 m -140.59 176.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -119.52 133.21 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -131.8 110.46 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.86 108.59 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.829 HD11 HD22 ' A' ' 94' ' ' LEU . 5.6 tp -102.12 116.12 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.96 105.57 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.6 p -96.32 127.95 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 m -125.55 102.51 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.509 ' HE3' ' OE2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -97.14 114.91 65.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.825 ' CG ' HD23 ' A' ' 90' ' ' LEU . 54.3 Cg_endo -69.68 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -81.93 -29.84 32.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 1.5 m -77.03 -45.39 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.562 ' HA ' ' C ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -35.01 146.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.6 Cg_endo -69.82 -28.07 6.5 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.339 -0.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 22.2 m-85 -34.07 -40.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.825 HD23 ' CG ' ' A' ' 84' ' ' PRO . 6.0 tp -99.19 156.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' HG ' ' A' ' 90' ' ' LEU . . . -77.66 120.9 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.4 pp -76.92 -174.85 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.513 ' N ' HD12 ' A' ' 92' ' ' LEU . 13.0 tt0 -131.27 118.78 20.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.829 HD22 HD11 ' A' ' 79' ' ' LEU . 6.3 mt -117.99 147.14 43.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -144.66 114.8 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.37 121.42 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -145.35 138.55 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.411 ' HB3' HD12 ' A' ' 101' ' ' LEU . 33.3 t -128.64 163.04 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -63.51 -49.28 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.04 -56.28 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 98' ' ' SER . 39.5 mt -41.36 135.21 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.89 171.28 8.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -48.03 -66.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -44.35 -48.55 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -55.75 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' GLN . 24.7 mt-30 -36.91 -53.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.37 -50.91 64.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.86 -55.03 40.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.44 -57.16 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -57.17 -63.35 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -42.38 -51.11 5.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.43 90.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 130' ' ' ALA . 16.0 tp -63.43 -68.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LEU . 6.1 p -35.37 -58.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 t -60.81 -40.24 91.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 42.9 t80 -63.38 -21.33 66.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' A' ' 130' ' ' ALA . 40.6 mm -92.17 -14.04 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.85 17.51 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 14.53 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -99.81 152.76 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 147.42 65.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.62 17.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.44 ' CA ' ' HG2' ' A' ' 88' ' ' PRO . . . 117.43 -29.66 6.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -98.38 159.02 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' A' ' 22' ' ' GLU . 15.2 mt -69.26 152.96 44.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.3 m -128.2 -43.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 128' ' ' CYS . 10.3 p -49.4 -44.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.504 ' N ' HG13 ' A' ' 127' ' ' VAL . 16.9 m -53.51 -27.94 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.89 -39.13 18.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -55.17 -45.38 75.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 68' ' ' LEU . 96.1 mt -51.12 -59.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.16 -44.41 95.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.26 -36.47 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 138' ' ' SER . 4.7 mt -72.15 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -40.64 -55.77 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.61 -47.54 83.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -99.7 44.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 134' ' ' LEU . 13.8 t -106.29 -51.87 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -67.6 -43.99 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.047 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 21.0 m -41.58 -24.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 139' ' ' ALA . 37.4 m-85 -85.77 -51.99 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 143' ' ' LEU . 27.3 m-85 -48.7 -47.98 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 142' ' ' PHE . 76.3 mt -37.19 106.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -169.77 137.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -56.85 150.98 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -161.65 147.55 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 tt -114.22 111.75 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 30.6 m -72.16 126.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.6 t -152.25 154.13 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -172.62 86.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.17 39.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.9 p -105.4 177.56 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.4 p -152.22 -179.0 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -133.94 -48.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -43.43 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 -150.64 7.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -104.52 177.04 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -125.96 148.87 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 171.1 22.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttp -96.25 83.95 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -173.25 162.73 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.43 134.05 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' VAL . 48.4 t -58.5 113.45 2.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.725 HG12 ' CD1' ' A' ' 16' ' ' LEU . 84.0 t -33.94 -42.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB3' HD23 ' A' ' 51' ' ' LEU . 37.9 mtmt -37.3 -49.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.52 -55.37 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 m -49.76 -52.15 33.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.725 ' CD1' HG12 ' A' ' 12' ' ' VAL . 23.1 mt -59.73 -43.37 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -44.97 -49.57 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.08 -25.58 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 69.4 mt-30 -82.09 -23.43 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.708 HD11 HG22 ' A' ' 47' ' ' ILE . 32.7 mt -81.52 -37.73 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -74.23 -42.56 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.631 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.5 pt-20 -56.65 -33.92 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 62.8 mmm -56.42 -26.45 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -82.83 -50.09 9.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.48 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 11.1 ptp -59.63 -26.73 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.08 -48.77 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 23' ' ' MET . 10.9 m-85 -55.04 -55.22 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -44.31 -44.59 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtp -60.34 -39.95 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 64.9 m-85 -105.13 96.48 11.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.72 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -53.91 105.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -59.95 129.54 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.95 -40.25 1.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -40.78 -56.16 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.931 HG13 ' CD2' ' A' ' 64' ' ' PHE . 94.1 t -83.09 103.4 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -87.2 103.18 15.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 64' ' ' PHE . 16.4 mt -87.07 104.37 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -45.31 -38.69 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -136.89 116.37 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.29 -32.85 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -84.48 28.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.11 -42.19 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.75 -50.82 31.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -47.29 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -42.85 -62.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.708 HG22 HD11 ' A' ' 20' ' ' LEU . 77.1 mt -40.01 -58.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -45.04 -44.19 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -41.92 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 53.0 t80 -55.57 -44.94 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 13' ' ' LYS . 37.5 mt -53.53 -41.71 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.14 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.56 -34.61 5.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -38.65 -35.78 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -113.56 109.55 18.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.21 -50.59 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.19 127.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.477 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -56.72 121.7 46.4 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.86 158.87 55.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.4 30.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 175.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.1 mt -104.42 102.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -123.15 129.49 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' CD2' HG13 ' A' ' 36' ' ' VAL . 17.7 p90 -159.11 178.35 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' LEU . 58.6 t -121.58 131.09 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mt -106.51 124.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -82.61 109.02 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 131' ' ' ILE . 4.5 mm? -78.54 91.71 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -70.54 76.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.434 HD13 ' CD ' ' A' ' 135' ' ' GLN . 43.7 mm -60.96 97.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' ILE . 26.5 mt-10 -36.08 -60.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.8 tt0 -148.63 126.63 5.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.78 150.86 90.86 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.336 -0.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -72.12 100.71 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.814 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.4 m -144.54 149.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -98.12 121.99 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 142' ' ' PHE . 78.3 mt -121.02 101.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.5 103.79 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.836 HD11 HD22 ' A' ' 94' ' ' LEU . 11.7 tp -94.51 111.14 22.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HA ' HG22 ' A' ' 65' ' ' VAL . 61.4 mt-30 -87.5 95.98 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 64' ' ' PHE . 5.8 p -92.01 144.83 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.2 m -141.98 121.12 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.448 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 8.0 mtt -110.34 98.34 35.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HG3' HD22 ' A' ' 90' ' ' LEU . 53.7 Cg_endo -69.77 171.75 13.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -59.57 -14.07 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.498 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 19.2 m -86.65 -63.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -32.85 146.56 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.352 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -33.65 -48.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.498 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.0 tt -95.3 148.2 22.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.57 95.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.0 pp -47.0 174.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -119.15 125.86 50.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.836 HD22 HD11 ' A' ' 79' ' ' LEU . 11.3 mt -123.7 131.39 53.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -138.98 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -113.04 130.16 9.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -128.01 134.26 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 t -140.73 163.11 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -53.38 -53.55 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -55.59 -52.51 63.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.402 ' CB ' ' HG3' ' A' ' 106' ' ' GLN . 2.1 mt -75.34 121.14 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.85 -71.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -126.46 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -59.94 -44.25 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.75 -55.34 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' LEU . 7.8 mt-30 -52.03 -62.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLN . 19.6 mt -35.67 -55.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' CE1' ' A' ' 141' ' ' TYR . 83.3 mt -50.16 -47.68 54.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 141' ' ' TYR . 6.0 tp -67.52 -57.66 6.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.24 -63.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -39.36 -40.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.83 -47.69 24.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.67 -57.57 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 22.7 p -47.3 -50.21 22.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -41.16 86.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 27.1 t80 -58.02 -42.46 85.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 126' ' ' CYS . 46.0 mm -77.47 -38.02 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.67 -28.47 15.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.3 p -67.64 -44.95 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -38.22 145.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.6 158.16 33.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.48 5.11 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.68 -44.73 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.2 pt-20 -100.38 176.8 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.2 mt -79.71 165.39 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.46 ' HB3' HG23 ' A' ' 117' ' ' ILE . 75.2 m -133.82 -53.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 128' ' ' CYS . 12.7 p -44.26 -39.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.407 ' N ' HG13 ' A' ' 127' ' ' VAL . 22.1 p -56.5 -40.55 75.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -38.52 59.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.71 -58.14 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.48 HG23 ' CD1' ' A' ' 68' ' ' LEU . 31.5 mt -46.37 -58.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -54.85 -56.89 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 81.1 t90 -47.52 -59.35 3.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.4 mt -48.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.434 ' CD ' HD13 ' A' ' 70' ' ' ILE . 20.2 mm-40 -45.85 -47.8 15.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -43.34 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 133' ' ' TRP . 0.8 OUTLIER -117.65 43.65 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.4 t -90.45 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -54.72 -46.27 74.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 139' ' ' ALA . 66.6 m -34.09 -45.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 109' ' ' LEU . 99.7 m-85 -73.63 -63.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.814 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 47.5 m-85 -38.63 -52.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' PHE . 26.7 mt -34.6 -65.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -51.32 98.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 145' ' ' ARG . 14.5 ttp-105 -141.49 131.69 24.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 147' ' ' LEU . 3.7 tppt? -96.53 30.83 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 146' ' ' LYS . 8.9 mp -119.64 124.16 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.99 -57.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.1 p -96.92 -38.64 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 151' ' ' PRO . . . 89.02 111.85 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 150' ' ' GLY . 53.8 Cg_endo -69.76 132.91 24.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -159.75 115.8 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 45.0 p -85.74 -57.83 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p 38.82 40.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -59.74 120.27 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.46 91.33 1.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -67.54 -52.57 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.8 p -158.31 142.32 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.25 -142.64 3.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -129.84 -42.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.19 169.73 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.31 141.73 45.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -80.15 122.64 27.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -41.12 -40.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 29.8 mtmt -38.79 -45.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.17 -65.52 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 49.8 m -43.74 -61.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.1 mt -47.67 -45.92 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.91 42.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 18' ' ' LEU . 7.0 mp -72.22 -29.45 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.637 ' HB3' HD12 ' A' ' 62' ' ' ILE . 16.0 mt-30 -64.05 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD11 ' CG2' ' A' ' 47' ' ' ILE . 64.1 mt -72.68 -33.2 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.07 -56.87 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' OE2' ' HE3' ' A' ' 83' ' ' MET . 2.8 pt-20 -47.43 -36.58 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 48.5 mmm -57.37 -35.41 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.58 -38.0 70.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtt -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 66' ' ' ILE . 20.1 mt -63.37 -56.38 16.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 23' ' ' MET . 15.3 m-85 -45.48 -54.16 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -58.9 -41.55 87.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtm -65.04 -23.01 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -121.4 81.16 38.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -20.81 34.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -85.04 121.75 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.0 132.1 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.06 -41.84 1.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -61.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.78 HG13 ' CD2' ' A' ' 64' ' ' PHE . 22.8 t -93.6 115.59 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -110.6 98.0 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 44' ' ' LEU . 10.7 mt -82.8 131.19 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.4 -22.03 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.888 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 3.9 p-10 -164.68 124.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.4 m -66.42 -20.74 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -17.13 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . . . -56.11 -31.12 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 38' ' ' LEU . 7.6 mt -83.34 -36.74 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ILE . 66.7 m -69.05 -63.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . 33.1 m120 -36.3 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CG2' HD11 ' A' ' 20' ' ' LEU . 76.4 mt -68.96 -61.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG3' HD13 ' A' ' 20' ' ' LEU . 64.8 mttt -41.46 -30.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.51 -42.84 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 45.1 t80 -57.51 -26.75 61.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.8 -52.09 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.44 -13.15 50.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.23 34.53 32.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 t -105.38 3.02 29.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.093 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -100.02 136.05 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.16 -32.4 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.44 151.96 37.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -62.85 128.06 91.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.887 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.8 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.7 159.46 53.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.363 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 128.73 16.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -53.5 169.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 19' ' ' GLN . 71.4 mt -94.25 108.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.86 137.79 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.78 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -165.52 179.69 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.58 125.7 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.66 ' CD1' HD22 ' A' ' 26' ' ' LEU . 14.3 mt -107.06 129.96 59.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.7 m -87.64 135.39 33.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -101.33 93.68 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.93 75.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.7 mm -57.79 107.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -49.89 -54.95 16.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.446 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 4.8 tt0 -145.76 123.46 6.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 148.58 86.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.371 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -66.63 80.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -126.42 171.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -115.44 143.25 45.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.4 mt -145.52 132.62 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.65 128.07 44.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.913 HD11 HD22 ' A' ' 94' ' ' LEU . 8.9 tp -114.86 116.72 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -88.27 105.28 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG21 ' CG2' ' A' ' 127' ' ' VAL . 1.9 p -100.35 136.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.3 m -139.94 108.0 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.522 ' HE3' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -112.08 117.09 48.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.843 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.63 ' HG3' HD21 ' A' ' 90' ' ' LEU . 54.0 Cg_endo -69.83 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.5 OUTLIER -84.08 0.39 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.2 t -98.37 -58.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.59 150.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.698 0.761 . . . . 0.0 110.889 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.1 Cg_endo -69.75 -1.44 6.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.401 -0.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.431 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 4.5 m-30 -39.19 -52.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 90' ' ' LEU . 2.4 pp -103.29 -174.06 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.492 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -96.98 97.23 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.1 pp -46.96 172.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -111.22 133.11 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.913 HD22 HD11 ' A' ' 79' ' ' LEU . 6.7 mt -129.03 144.59 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.24 106.02 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.07 125.48 8.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 -130.86 134.64 46.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -140.67 150.54 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.1 p -63.95 -41.45 97.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -67.33 -49.43 64.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.9 135.85 49.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.82 173.62 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -54.61 -55.93 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -53.89 -59.44 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -45.36 -50.14 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -50.47 -59.61 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.8 mt -39.65 -45.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.03 -44.6 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.525 HD12 ' CE1' ' A' ' 141' ' ' TYR . 6.0 tp -65.39 -57.3 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -60.87 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -42.38 -49.85 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.25 -35.96 91.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 94' ' ' LEU . 10.3 tp -71.6 -50.92 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.5 p -49.98 -47.58 52.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -60.01 -45.16 93.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.512 ' CG ' ' CD1' ' A' ' 133' ' ' TRP . 53.2 t80 -58.56 -38.78 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' A' ' 130' ' ' ALA . 29.2 mm -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.6 -20.71 56.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.8 p -73.92 -39.24 63.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -47.13 156.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -108.03 158.12 34.42 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.7 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.42 -33.74 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 9.0 pt-20 -111.29 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 22' ' ' GLU . 38.4 mt -83.79 152.13 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.7 -48.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 81' ' ' VAL . 13.1 p -45.54 -33.82 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 45.5 t -59.18 -41.29 88.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.51 -49.09 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.608 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -39.98 -44.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 71.4 mt -51.83 -64.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -57.69 -54.64 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.512 ' CD1' ' CG ' ' A' ' 116' ' ' TYR . 69.7 t90 -41.9 -51.93 4.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 135' ' ' GLN . 3.3 mt -54.27 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 134' ' ' LEU . 47.5 mt-30 -35.03 -61.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.18 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -89.54 59.85 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -128.64 -54.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.13 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 t -41.76 -45.64 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.525 ' CE1' HD12 ' A' ' 109' ' ' LEU . 52.3 m-85 -72.21 -62.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 145' ' ' ARG . 49.4 m-85 -38.28 -41.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 142' ' ' PHE . 16.8 mt -36.42 106.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 61.91 47.31 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.625 ' HD2' HD23 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -56.47 160.19 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.405 ' O ' ' NH1' ' A' ' 145' ' ' ARG . 25.4 tptt -87.56 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.625 HD23 ' HD2' ' A' ' 145' ' ' ARG . 2.2 pp -126.28 149.19 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.92 142.16 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.6 m -58.19 148.71 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -152.05 134.0 4.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 170.06 17.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 158.42 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 79.5 p -162.71 157.67 22.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -138.5 117.13 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -93.66 175.0 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.0 -82.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -70.77 -52.54 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -157.55 145.4 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.31 149.81 21.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -48.95 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -128.0 125.69 39.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.95 170.12 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 11.3 t -73.11 131.79 42.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 42.0 t -36.21 -39.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' VAL . 72.3 mttt -35.8 -66.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -49.23 -51.29 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -49.89 -57.64 7.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 47' ' ' ILE . 66.8 mt -55.26 -52.01 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -40.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mp -72.96 -37.1 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.785 ' HB3' HD12 ' A' ' 62' ' ' ILE . 67.5 mt-30 -55.04 -40.74 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.57 -29.65 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.3 mt -62.18 -55.63 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.658 ' HB3' HD13 ' A' ' 125' ' ' LEU . 2.6 pp20? -60.78 -36.05 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.53 ' HA ' HD12 ' A' ' 26' ' ' LEU . 65.5 mmm -51.27 -50.74 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.95 -48.84 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtt -58.72 -36.5 74.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 23' ' ' MET . 16.7 mt -62.37 -48.01 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -54.97 -51.13 67.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -61.11 -42.39 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.7 mtp -62.52 -29.7 70.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -118.38 82.25 18.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.55 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -59.99 95.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -41.78 133.69 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.74 -45.29 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.97 -69.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 64' ' ' PHE . 61.3 t -78.05 126.87 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.26 96.75 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -53.41 -15.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -171.53 111.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.31 -11.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -76.07 -11.22 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.89 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.2 mt -83.38 -36.59 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -65.98 -63.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -37.33 -47.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.658 HG23 HD13 ' A' ' 16' ' ' LEU . 81.0 mt -54.65 -51.05 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -51.15 -19.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 mmm-85 -83.34 -34.22 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.88 -42.8 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.88 -28.39 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -30.14 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.78 12.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -96.84 -14.64 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 111.162 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 29.6 ttm-85 -122.07 78.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ARG . 11.4 mm-40 -37.56 -50.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 120.04 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.739 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -52.13 125.93 34.17 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.739 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.73 159.12 54.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -55.91 179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 19' ' ' GLN . 91.8 mt -105.52 97.01 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -123.13 133.98 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.755 ' O ' HG12 ' A' ' 81' ' ' VAL . 30.8 p90 -163.1 177.98 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.06 129.61 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD11 ' HE2' ' A' ' 64' ' ' PHE . 18.0 mt -107.32 124.96 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.522 HG23 ' HG3' ' A' ' 76' ' ' LYS . 98.7 m -84.36 101.61 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 68' ' ' LEU . 3.7 mm? -66.05 100.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 75.43 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.64 130.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.2 -42.82 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tt0 -160.94 123.9 1.85 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.77 140.63 61.71 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.353 0.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.22 84.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.99 168.03 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HG3' HG23 ' A' ' 67' ' ' THR . 14.3 ttpp -110.03 142.81 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.8 mt -143.79 114.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -80.48 116.14 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.961 HD11 HD22 ' A' ' 94' ' ' LEU . 11.2 tp -104.58 110.61 22.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -82.82 91.67 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 64' ' ' PHE . 9.7 p -85.03 147.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -141.5 108.83 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.677 ' HE1' HG11 ' A' ' 127' ' ' VAL . 19.6 mtm -107.45 106.36 58.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.457 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 53.8 Cg_endo -69.78 -168.89 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -80.21 -22.8 41.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 90' ' ' LEU . 55.7 m -79.1 -52.74 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -32.93 146.24 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.685 0.755 . . . . 0.0 110.911 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.72 -24.8 8.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.342 -0.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 88' ' ' PRO . 7.3 m-85 -31.76 -41.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 91' ' ' ALA . 6.4 tt -98.55 160.87 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.768 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -86.3 96.87 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 87' ' ' TYR . 3.9 pp -46.44 170.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.6 115.85 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.961 HD22 HD11 ' A' ' 79' ' ' LEU . 13.9 mt -111.72 140.89 45.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -150.05 111.8 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.33 142.15 15.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -147.46 134.5 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 m -140.98 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 m -78.23 -53.78 6.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -54.11 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.08 157.57 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -109.04 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.02 -50.08 73.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -56.96 -58.49 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -52.16 -58.8 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -39.5 -52.89 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.8 mt -49.1 -41.05 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.52 -44.74 81.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.37 -54.35 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -57.36 -63.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -41.24 -48.71 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.0 -44.36 98.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.564 HD21 HD13 ' A' ' 94' ' ' LEU . 13.9 tp -68.82 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.8 p -37.13 -51.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 m -62.16 -46.6 88.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -54.63 -35.07 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 130' ' ' ALA . 13.3 mm -81.78 -30.35 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.51 -6.1 53.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 74.2 p -93.41 -32.56 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -42.85 159.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 2.8 t70 -90.76 140.85 26.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 121' ' ' ASP . 53.4 Cg_endo -69.77 96.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 156.62 -22.68 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -112.07 174.48 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 22' ' ' GLU . 61.2 mt -78.27 147.98 34.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' CYS . . . . . 0.423 ' HB3' HG23 ' A' ' 117' ' ' ILE . 3.7 m -124.43 -40.92 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.677 HG11 ' HE1' ' A' ' 83' ' ' MET . 13.3 p -55.15 -29.3 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.37 -28.36 69.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.52 -48.5 7.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.539 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -41.28 -34.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.37 -56.13 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.97 -52.84 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -43.73 -46.84 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' GLN . 11.1 mt -63.59 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' LEU . 42.7 mt-30 -36.83 -48.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.34 -51.97 26.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -89.63 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.3 t -109.41 -50.39 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.23 -48.63 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 p -38.94 -40.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -74.71 -55.45 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 143' ' ' LEU . 10.1 m-85 -47.5 -54.33 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' PHE . 18.3 mt -35.56 107.22 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -164.88 167.42 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -110.46 122.61 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -119.51 148.54 43.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.27 -179.44 4.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 149' ' ' SER . 14.6 p -155.93 156.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 148' ' ' VAL . 22.5 p -122.41 176.46 5.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.97 145.97 17.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.2 t -125.7 176.19 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.6 t -157.57 173.99 16.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -161.63 172.0 17.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.23 179.84 26.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -103.67 93.34 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -124.0 111.37 15.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.92 47.07 6.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -171.98 127.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -70.69 -64.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.11 171.69 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -103.39 129.55 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t -38.67 -37.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -47.2 -69.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HD23 ' A' ' 18' ' ' LEU . 20.2 mt-10 -45.96 -48.43 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 m -50.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.417 HD13 HG23 ' A' ' 47' ' ' ILE . 59.8 mt -39.5 -46.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.48 -53.78 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 3.3 mm? -57.87 -29.3 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.774 ' HB3' HD12 ' A' ' 62' ' ' ILE . 60.8 mt-30 -75.11 -14.94 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.1 mt -91.91 -52.53 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.08 -30.97 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.8 pp20? -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mmm -69.12 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 26.4 mtm -79.65 -28.53 40.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -48.3 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -48.56 -54.99 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -52.43 -38.45 59.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.0 mtm -68.3 -33.7 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.81 80.58 14.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -35.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -62.93 95.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -42.91 152.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.99 -42.88 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -68.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.857 HG13 ' CD2' ' A' ' 64' ' ' PHE . 46.8 t -81.02 106.55 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -95.34 104.67 16.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -93.72 122.06 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -52.16 -36.79 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.05 127.08 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.43 -13.46 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.44 2.06 56.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.25 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.5 -45.57 62.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ASN . 95.2 m -59.89 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' THR . 90.8 m-20 -35.25 -45.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.7 mt -58.02 -58.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -38.96 -34.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -72.85 -44.93 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.8 t80 -58.93 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 51' ' ' LEU . 12.7 mt -64.22 -33.49 75.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 52' ' ' GLU . 2.4 tp10 -74.63 -28.9 61.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.63 30.73 5.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -112.4 22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 111.146 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -143.52 122.04 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -89.85 -32.52 16.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.73 120.05 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.772 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -47.02 128.6 9.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.772 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.69 159.32 53.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 111.9 2.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.52 167.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 19' ' ' GLN . 81.3 mt -94.14 97.93 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -120.04 127.73 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.857 ' CD2' HG13 ' A' ' 36' ' ' VAL . 9.2 p90 -152.94 -178.66 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -125.76 129.56 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.537 HD11 ' HE2' ' A' ' 64' ' ' PHE . 58.9 mt -109.28 127.85 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -86.43 111.18 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.18 98.32 8.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.28 69.62 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 70' ' ' ILE . 5.5 mm -47.94 114.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -54.67 -59.17 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 15.0 tt0 -141.47 121.93 8.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.79 157.76 91.79 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -77.84 94.98 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.93 164.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -109.97 131.65 54.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.4 mt -136.01 117.43 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.28 117.86 20.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.687 HD11 HD22 ' A' ' 94' ' ' LEU . 10.1 tp -107.67 107.9 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -83.59 109.5 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 HD21 ' A' ' 94' ' ' LEU . 2.2 p -104.02 129.36 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -127.93 106.85 9.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.08 122.01 55.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.643 ' HG3' HD12 ' A' ' 90' ' ' LEU . 54.4 Cg_endo -69.75 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -87.87 -28.42 21.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.6 m -77.09 -45.43 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.558 ' HA ' ' C ' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -32.32 144.55 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.693 0.759 . . . . 0.0 110.903 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.72 5.49 3.64 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 -1.796 . . . . 0.0 112.365 -0.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.516 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 79.5 m-85 -80.64 25.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.905 HD13 ' H ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -148.11 161.23 41.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.905 ' H ' HD13 ' A' ' 90' ' ' LEU . . . -87.27 76.43 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.55 HD11 HD12 ' A' ' 94' ' ' LEU . 4.2 pp -41.88 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -113.4 124.08 51.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 79' ' ' LEU . 5.6 mt -122.25 122.76 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -130.92 113.12 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.35 116.94 5.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -122.27 134.31 54.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -140.11 139.19 35.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.0 p -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.59 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.827 HD22 ' HB3' ' A' ' 105' ' ' GLN . 81.2 mt -57.1 136.42 56.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 103' ' ' ARG . 30.2 m-20 -92.42 163.85 13.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASP . 22.2 ttm180 -34.34 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -51.93 -56.6 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.827 ' HB3' HD22 ' A' ' 101' ' ' LEU . 14.4 mm100 -55.04 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -37.99 -43.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -65.01 -53.97 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.99 -46.33 71.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.08 -57.5 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -52.01 -56.08 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -40.79 -45.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.95 -46.53 72.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 94' ' ' LEU . 11.1 tp -65.07 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 p -37.82 -54.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 m -68.12 -35.67 78.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 50.7 t80 -60.87 -22.64 64.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.495 HD11 ' HB2' ' A' ' 130' ' ' ALA . 23.3 mm -93.2 -34.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.89 -15.42 27.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -77.99 -45.79 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.149 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -42.07 141.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.3 159.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 131.35 21.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.68 -46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -95.3 160.13 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -68.4 155.99 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 69.3 m -125.81 -45.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 128' ' ' CYS . 11.2 p -50.64 -41.54 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.453 ' N ' HG13 ' A' ' 127' ' ' VAL . 20.8 t -56.74 -25.62 55.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.01 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -48.46 -53.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.9 mt -46.87 -62.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -53.97 -47.5 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 90.6 t90 -51.73 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.529 HD11 HD13 ' A' ' 79' ' ' LEU . 10.3 mt -40.97 -61.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.3 mm-40 -35.66 -49.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.1 -46.59 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -89.73 46.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -117.52 -52.57 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -60.46 -49.06 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' ALA . 5.1 t -37.13 -36.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -86.72 -47.22 9.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.548 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 23.5 m-85 -67.29 -68.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt 42.91 42.86 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -105.68 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -97.94 119.34 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -131.84 123.61 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.5 tt -117.04 92.67 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 149' ' ' SER . 19.9 m -109.67 -41.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 148' ' ' VAL . 71.1 m -45.94 137.91 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.98 156.51 24.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.431 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.39 9.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.5 m 62.74 41.12 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 67.1 m -53.71 -55.65 24.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' VAL . 5.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.919 0.39 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.1 t -37.0 -41.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' VAL . 18.2 mtpt -36.01 -60.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -53.71 -59.21 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -40.6 -62.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD22 HD13 ' A' ' 47' ' ' ILE . 50.7 mt -49.51 -42.13 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -47.91 75.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 21' ' ' LEU . 10.0 mp -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -82.36 -19.59 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.513 HD23 HD11 ' A' ' 62' ' ' ILE . 87.6 mt -93.03 -37.59 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.55 -41.13 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.497 ' OE1' HG11 ' A' ' 127' ' ' VAL . 7.1 pt-20 -59.08 -24.85 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.4 mmm -62.33 -44.24 96.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.44 -32.29 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtm -74.98 -43.25 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.84 -44.06 97.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.24 -36.14 74.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -67.89 -46.07 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mtm -68.68 -10.92 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD1' ' OE1' ' A' ' 35' ' ' GLU . 57.6 m-85 -126.74 89.14 52.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -31.59 20.28 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -68.79 136.81 53.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.61 -28.99 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.96 40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 9.8 mm-40 -112.2 -74.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 64' ' ' PHE . 66.4 t -83.39 112.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -103.05 102.53 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.44 120.62 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.35 -33.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -158.47 123.62 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 m -63.54 -16.28 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -91.4 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.84 -35.55 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -63.8 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -38.77 -36.88 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD13 HD22 ' A' ' 16' ' ' LEU . 47.0 mt -68.83 -59.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -42.17 -28.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -75.26 -39.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -62.13 -32.07 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.13 -32.53 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -72.05 -30.0 64.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.617 0.722 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.98 20.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -56.36 170.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD11 HD23 ' A' ' 20' ' ' LEU . 67.2 mt -94.99 93.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HG3' HG23 ' A' ' 82' ' ' THR . 14.0 tt0 -113.09 132.26 55.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' HE2' HD11 ' A' ' 66' ' ' ILE . 3.1 p90 -156.85 175.51 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.97 125.07 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.599 HD11 ' HE2' ' A' ' 64' ' ' PHE . 43.0 mt -107.0 129.46 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.634 HG21 ' HD2' ' A' ' 76' ' ' LYS . 94.8 m -88.83 127.14 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.02 102.1 14.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.44 ' NE2' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -78.6 73.52 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.0 mm -59.44 121.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.49 -37.94 80.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.3 tt0 -164.2 124.74 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.2 Cg_endo -69.82 134.6 30.25 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.288 0.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -52.57 90.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 73' ' ' PRO . 32.1 m -139.91 173.81 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.634 ' HD2' HG21 ' A' ' 67' ' ' THR . 18.6 ttpt -124.46 130.16 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.85 106.65 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.41 118.09 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.773 HD11 HD22 ' A' ' 94' ' ' LEU . 6.3 tp -109.82 111.45 22.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -90.04 102.8 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.1 p -96.83 136.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 63' ' ' GLU . 6.1 m -136.15 108.56 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.415 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.2 OUTLIER -105.29 101.83 33.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.3 Cg_endo -69.78 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.485 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -76.24 3.78 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 53.9 m -102.34 -62.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -36.64 150.01 0.14 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.79 -24.33 8.64 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.334 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.0 m-85 -34.52 -44.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 4.0 tt -100.62 154.35 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -72.83 100.96 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 92' ' ' LEU . 3.4 pp -54.63 175.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 92' ' ' LEU . 5.9 tp60 -121.74 125.33 46.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 79' ' ' LEU . 5.6 mt -122.66 154.91 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -139.33 111.34 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.07 111.75 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -144.17 144.47 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.17 148.42 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 p -48.7 -45.02 38.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.78 -61.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.6 mt -39.65 155.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -113.37 177.6 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -59.12 -58.01 10.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -56.75 -47.25 80.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -54.92 -61.1 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 107' ' ' LEU . 26.0 mt-30 -39.64 -61.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' GLN . 14.2 mt -38.15 -55.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.85 -50.94 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.946 HD12 ' CD2' ' A' ' 141' ' ' TYR . 4.8 tp -58.4 -65.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -44.44 -55.86 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -49.87 -56.88 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.75 -33.25 42.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 114' ' ' THR . 6.1 tp -76.1 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.0 p -35.1 -49.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.867 ' O ' HG23 ' A' ' 119' ' ' THR . 73.9 m -61.26 -46.72 89.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 113' ' ' LEU . 62.3 t80 -55.12 -43.68 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.543 HG23 ' HB3' ' A' ' 126' ' ' CYS . 32.3 mm -75.5 -23.6 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 10.83 58.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 115' ' ' SER . 10.4 p -115.23 17.6 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -101.41 158.61 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.93 144.92 37.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 94.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.28 -33.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 4.3 pt-20 -105.76 169.87 8.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.5 mt -76.75 155.34 33.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.543 ' HB3' HG23 ' A' ' 117' ' ' ILE . 4.3 m -125.6 -35.56 2.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.497 HG11 ' OE1' ' A' ' 22' ' ' GLU . 8.7 p -57.45 -28.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 15.1 m -69.17 -23.97 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -93.28 -29.35 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -61.22 -35.79 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.95 -59.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.91 -45.56 92.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -49.43 -56.45 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.5 mt -53.44 -56.87 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -46.31 -62.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -41.08 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.26 50.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.9 t -105.95 -43.55 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.34 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -43.64 -37.4 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.946 ' CD2' HD12 ' A' ' 109' ' ' LEU . 91.0 m-85 -77.68 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 15.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.87 0.367 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.4 t -35.56 -41.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' VAL . 31.7 mtmt -36.3 -52.05 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -59.37 -49.86 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.2 m -54.18 -51.78 63.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 47' ' ' ILE . 19.2 mt -58.89 -35.05 72.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -47.46 85.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.3 mm? -60.86 -25.27 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.76 ' HB3' HD12 ' A' ' 62' ' ' ILE . 46.9 mt-30 -81.21 -14.63 57.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.64 HD11 HG22 ' A' ' 47' ' ' ILE . 39.1 mt -91.1 -55.46 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp -53.53 -30.81 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG2' ' C ' ' A' ' 19' ' ' GLN . 7.9 pt-20 -67.9 -29.78 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.8 mmm -64.5 -48.26 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -63.82 -23.33 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 34.9 mtm -88.28 -35.43 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.64 -45.39 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.88 -44.6 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 t -63.25 -46.0 88.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.6 mtm -60.42 -20.0 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CE2' HD13 ' A' ' 66' ' ' ILE . 74.2 m-85 -117.51 89.77 33.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.8 37.14 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.43 -20.29 53.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 42.66 52.52 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -48.36 -45.53 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.57 91.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -85.7 110.41 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.7 mt -99.43 108.73 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' LEU . 16.7 pt-20 -36.57 -46.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.75 129.87 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.12 -16.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 35.3 m-80 -88.31 1.92 53.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.48 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.75 -43.62 36.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -61.45 -48.16 82.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.419 HD22 ' CD ' ' A' ' 60' ' ' PRO . 36.2 m-20 -51.33 -48.68 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.64 HG22 HD11 ' A' ' 20' ' ' LEU . 59.0 mt -48.85 -57.15 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -44.73 -40.53 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.44 -37.32 77.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -59.68 -48.7 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.41 -34.15 10.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -30.25 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.666 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.666 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.78 155.68 65.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.612 2.208 . . . . 0.0 112.369 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.419 ' CD ' HD22 ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -52.26 156.97 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.76 HD12 ' HB3' ' A' ' 19' ' ' GLN . 72.6 mt -82.99 102.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.541 ' CG ' HG23 ' A' ' 82' ' ' THR . 5.4 mt-10 -120.91 133.75 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CZ ' HG11 ' A' ' 81' ' ' VAL . 13.1 p90 -162.07 -179.69 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.783 HG11 ' OD2' ' A' ' 78' ' ' ASP . 88.4 t -131.31 128.46 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.649 HD13 ' CE2' ' A' ' 30' ' ' PHE . 8.7 mt -106.55 125.02 62.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.442 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 67.0 m -83.96 106.37 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.3 mm? -77.06 93.62 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.61 80.78 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 70' ' ' ILE . 4.8 mm -61.67 116.37 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PRO . 33.3 mm-40 -63.94 -64.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 73' ' ' PRO . 2.0 tp10 -122.22 110.53 32.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 -175.9 11.7 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.368 -0.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -102.17 94.25 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 142' ' ' PHE . 13.7 m -144.04 -177.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HG3' ' CG2' ' A' ' 67' ' ' THR . 15.0 ttpp -127.41 139.42 52.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.79 108.98 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.783 ' OD2' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -74.08 112.02 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.011 HD11 HD22 ' A' ' 94' ' ' LEU . 13.3 tp -101.91 120.92 41.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.478 ' HA ' HG22 ' A' ' 65' ' ' VAL . 7.4 mt-30 -95.38 111.42 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.5 p -103.13 145.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.541 HG23 ' CG ' ' A' ' 63' ' ' GLU . 36.9 m -139.81 108.32 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.416 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -108.23 98.96 29.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.1 Cg_endo -69.83 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.578 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -77.05 -8.73 57.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 41.9 m -89.36 -63.18 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.78 148.57 0.15 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.758 . . . . 0.0 110.924 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.81 -24.35 8.63 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.326 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.8 m-85 -34.3 -43.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.5 tt -102.04 154.64 18.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -72.58 107.03 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.2 pp -61.32 178.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.463 ' N ' HD12 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -123.29 138.27 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.011 HD22 HD11 ' A' ' 79' ' ' LEU . 7.0 mt -137.82 144.95 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -144.35 122.71 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.24 128.88 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -137.77 142.18 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.3 t -140.61 123.7 16.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.6 t -43.66 -41.24 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.58 -45.84 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.777 HD21 ' CE1' ' A' ' 142' ' ' PHE . 24.0 mt -56.48 179.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.4 -179.13 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -68.25 -51.43 45.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -57.01 -50.72 71.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 26.0 mt-30 -62.4 -53.79 49.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -43.26 -55.18 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 107' ' ' LEU . 8.3 mt -47.47 -64.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.5 mt -45.2 -47.0 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.09 -69.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -47.29 -58.83 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -41.32 -54.3 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.69 75.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.22 -55.92 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -38.42 -57.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 119' ' ' THR . 14.1 m -57.99 -49.24 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 60.3 t80 -53.57 -35.62 60.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.6 mm -83.61 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.66 -9.07 86.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 115' ' ' SER . 33.6 p -78.58 -40.85 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -45.22 158.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 158.75 31.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.52 -32.5 2.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 10.1 pt-20 -103.61 168.54 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.63 152.89 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.74 -37.48 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 128' ' ' CYS . 14.9 p -52.09 -44.39 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 127' ' ' VAL . 42.1 t -54.39 -28.94 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.34 10.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.85 -39.72 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.45 -49.99 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.533 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 75.6 t90 -48.41 -51.61 25.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -55.09 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.65 -49.69 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.74 -27.43 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -111.6 50.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.7 t -117.03 -52.78 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -54.46 -53.19 57.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 139' ' ' ALA . 49.0 m -35.67 -49.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.489 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 67.1 m-85 -77.23 -48.2 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.777 ' CE1' HD21 ' A' ' 101' ' ' LEU . 15.1 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' VAL . 34.0 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 16' ' ' LEU . 46.7 t -37.27 -44.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -38.19 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -54.24 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -52.91 -66.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD12 HG12 ' A' ' 12' ' ' VAL . 13.3 mt -43.02 -49.27 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.07 -45.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -69.78 -42.89 73.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.88 ' HB3' HD12 ' A' ' 62' ' ' ILE . 3.5 mp0 -52.75 -17.9 1.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 mt -91.5 -57.78 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.8 pt-20 -66.23 -30.13 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.493 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.18 -33.62 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.403 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 6.4 mtt -71.56 -38.54 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.629 HD22 HD11 ' A' ' 66' ' ' ILE . 13.8 mt -71.46 -45.17 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.09 -49.42 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -50.95 -38.36 50.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 mtm -72.64 -34.31 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' HZ ' HD13 ' A' ' 131' ' ' ILE . 23.5 m-85 -116.22 75.61 6.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.31 33.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.52 110.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -60.36 105.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -17.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.75 -57.74 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 64' ' ' PHE . 52.3 t -93.6 118.41 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 112.43 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.19 108.32 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -45.29 -23.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -167.61 114.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.53 -13.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 57.9 m-80 -74.03 -12.82 60.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -29.24 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.3 mt -86.33 -39.58 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASN . 94.5 m -64.9 -60.93 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 77.0 m-20 -36.43 -38.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.447 ' CG2' HD22 ' A' ' 16' ' ' LEU . 54.8 mt -64.1 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ILE . 52.8 mttt -37.33 -33.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -71.06 -49.32 45.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 1.5 t80 -65.95 -46.5 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -41.62 -32.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.77 -30.23 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 166.22 28.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.85 32.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 82' ' ' THR . 12.9 pttm -93.75 -176.99 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.88 HD12 ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.53 93.33 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.07 124.54 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD2' HG13 ' A' ' 36' ' ' VAL . 23.3 p90 -152.89 178.97 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.05 131.05 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.629 HD11 HD22 ' A' ' 26' ' ' LEU . 43.1 mt -106.84 129.98 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.544 HG23 ' HG3' ' A' ' 76' ' ' LYS . 98.9 m -86.76 116.68 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.523 HD11 HG23 ' A' ' 131' ' ' ILE . 4.2 mm? -92.23 98.47 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.02 74.9 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . 42.1 mm -45.58 104.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ILE . 12.5 mt-10 -37.05 -56.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.6 tt0 -149.74 125.76 5.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.72 157.53 91.84 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.361 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -72.95 97.05 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.04 174.54 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HG3' HG23 ' A' ' 67' ' ' THR . 7.7 ttpm? -120.47 133.53 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.6 mt -133.94 115.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.06 113.26 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 94' ' ' LEU . 14.6 tp -99.41 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -84.39 103.2 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -98.73 141.7 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 61' ' ' LYS . 10.2 m -141.15 108.25 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.435 ' HE3' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -104.15 103.69 39.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.28 46.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.517 ' CE1' HD12 ' A' ' 58' ' ' LEU . 3.0 m170 -49.42 -18.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' TYR . 50.1 m -83.02 -56.31 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -36.46 148.57 0.17 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.77 8.4 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.382 -0.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.481 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 33.8 m-85 -33.33 -42.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.977 HD23 ' N ' ' A' ' 91' ' ' ALA . 8.1 tt -99.92 156.97 16.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.977 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -77.61 105.34 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.5 pp -56.35 -179.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -126.29 115.3 19.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 79' ' ' LEU . 7.8 mt -113.21 148.28 35.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -151.29 108.88 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.48 132.03 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.535 ' CB ' ' NE2' ' A' ' 106' ' ' GLN . 6.7 ptm180 -145.83 138.08 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.7 p -139.27 146.17 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -49.17 -42.39 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.83 145.34 55.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.69 172.45 6.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.75 -63.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -51.05 -58.33 6.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 25.5 mm100 -46.24 -53.84 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.535 ' NE2' ' CB ' ' A' ' 97' ' ' ARG . 32.3 mt-30 -47.34 -56.94 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -38.6 -46.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.05 -47.42 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.28 -58.01 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -47.13 -67.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -48.27 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.55 -39.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.5 tp -73.9 -64.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.2 p -42.63 -41.48 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 t -70.7 -40.55 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 37.5 t80 -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.71 HG23 ' HB3' ' A' ' 126' ' ' CYS . 49.9 mm -71.54 -33.73 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -52.14 -19.82 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -71.38 -41.06 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.4 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -100.68 155.72 36.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.0 Cg_endo -69.73 104.1 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.03 -39.35 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -101.13 153.21 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.51 154.96 27.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.71 ' HB3' HG23 ' A' ' 117' ' ' ILE . 27.1 m -127.55 -36.02 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -57.13 -27.17 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 13.6 p -64.94 -32.21 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.45 -45.82 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.89 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 68' ' ' LEU . 95.5 mt -54.21 -69.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -49.47 -56.13 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.445 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 82.1 t90 -43.43 -46.58 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 135' ' ' GLN . 4.2 mt -60.0 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 134' ' ' LEU . 71.4 mt-30 -34.63 -55.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.14 -40.59 86.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 134' ' ' LEU . 66.0 m-80 -93.44 48.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.2 t -123.33 -54.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.57 80.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.0 m -59.02 -26.28 64.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 18.7 m-85 -84.56 -42.84 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.96 0.409 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 16' ' ' LEU . 25.5 t -36.86 -36.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -44.04 -53.7 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' GLN . 16.6 mt-10 -52.93 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' GLU . 56.2 p -36.61 -55.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.674 HD13 HG23 ' A' ' 47' ' ' ILE . 24.0 mt -64.76 -34.22 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -53.41 -43.27 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.66 HD23 HD21 ' A' ' 21' ' ' LEU . 15.0 mt -74.83 -12.9 60.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.72 ' HB3' HD12 ' A' ' 62' ' ' ILE . 72.1 mt-30 -83.99 -26.33 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.679 HD21 ' O ' ' A' ' 44' ' ' LEU . 31.5 mt -84.46 -31.91 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 22' ' ' GLU . 1.7 pp -77.12 -41.88 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.808 ' OE1' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -53.61 -38.56 64.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.42 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 89.6 mmm -48.37 -43.95 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.53 -47.65 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.445 ' HE3' HD11 ' A' ' 125' ' ' LEU . 8.0 mtt -59.54 -47.19 86.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.808 HD12 ' OE1' ' A' ' 22' ' ' GLU . 7.1 mt -59.71 -46.27 89.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 23' ' ' MET . 27.9 m-85 -61.95 -33.53 74.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -68.27 -43.91 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtm -65.13 -9.79 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 39.1 m-85 -122.1 94.71 47.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -43.51 2.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.288 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.01 124.06 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 20.8 mp0 -76.11 75.89 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 52.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 21.4 mt-10 -117.67 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 64' ' ' PHE . 31.0 t -68.68 119.76 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -104.47 101.8 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 64' ' ' PHE . 5.7 mt -91.79 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.14 -31.47 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 36.9 m-20 -140.9 115.98 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.88 -15.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -102.42 7.92 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . . . -63.58 -45.8 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.679 ' O ' HD21 ' A' ' 20' ' ' LEU . 1.6 mt -69.46 -48.57 60.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.465 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 11.4 m -59.63 -43.36 93.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -46.05 -26.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.674 HG23 HD13 ' A' ' 16' ' ' LEU . 15.5 mt -84.79 -29.3 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 45' ' ' THR . 9.2 mmmm -57.33 -39.69 76.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 18.0 mtp85 -68.65 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.65 -45.63 68.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.14 -37.04 61.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' ARG . 11.9 pt-20 -81.3 -24.79 36.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.765 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.765 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.8 159.25 54.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.54 5.74 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -43.24 156.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' A' ' 19' ' ' GLN . 52.5 mt -77.68 95.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.61 ' OE2' HG23 ' A' ' 82' ' ' THR . 3.0 tp10 -118.09 129.32 55.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.666 ' HB3' HD23 ' A' ' 38' ' ' LEU . 5.2 p90 -160.1 173.61 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -122.38 127.67 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.543 HD11 ' HE2' ' A' ' 64' ' ' PHE . 53.3 mt -106.52 124.9 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -83.98 114.29 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 131' ' ' ILE . 1.0 OUTLIER -81.48 96.95 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.509 ' NE2' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -75.66 69.81 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.5 mm -47.36 136.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 12.5 pt-20 -74.87 -50.65 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.462 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 13.7 tt0 -151.43 122.44 3.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.3 Cg_endo -69.77 144.07 75.64 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.322 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.1 82.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.54 171.2 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -116.15 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.4 mt -140.3 117.65 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.95 118.04 21.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.801 HD11 HD22 ' A' ' 94' ' ' LEU . 9.1 tp -112.14 105.74 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -80.75 111.84 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.555 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.5 p -103.44 121.03 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' OE2' ' A' ' 63' ' ' GLU . 2.7 m -119.25 114.19 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 110.47 49.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.433 ' CG ' HD21 ' A' ' 90' ' ' LEU . 54.1 Cg_endo -69.69 -169.16 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.597 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -84.09 7.12 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' TYR . 13.3 m -106.89 -58.3 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.82 149.92 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.75 -8.29 10.41 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.318 -0.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.3 m-30 -34.33 -50.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 90' ' ' LEU . 1.3 pp -104.85 -175.36 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.58 102.68 14.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 94' ' ' LEU . 4.6 pp -50.12 171.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.16 116.01 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.801 HD22 HD11 ' A' ' 79' ' ' LEU . 6.3 mt -114.83 153.9 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -149.32 109.47 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.52 116.4 4.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -144.39 147.25 33.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 p -139.31 140.99 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 t -47.15 -38.72 12.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.81 -56.54 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 105' ' ' GLN . 20.2 mt -59.02 140.9 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -87.61 164.05 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -48.46 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -48.62 -39.08 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.509 ' HB3' HD22 ' A' ' 101' ' ' LEU . 18.6 mm100 -65.25 -49.46 69.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.6 -49.83 45.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.23 -34.83 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.25 -43.19 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.705 HD12 ' CE1' ' A' ' 141' ' ' TYR . 5.5 tp -67.81 -59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -49.27 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -39.6 -47.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.05 96.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 114' ' ' THR . 7.3 tp -69.68 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LEU . 32.2 p -35.26 -55.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -63.77 -45.72 88.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.431 ' CZ ' ' CD1' ' A' ' 133' ' ' TRP . 56.9 t80 -51.15 -35.98 38.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.424 HD11 ' HB2' ' A' ' 130' ' ' ALA . 15.4 mm -81.68 -32.36 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.4 -14.3 56.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 71.8 p -81.82 -37.57 26.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 129' ' ' ALA . 13.1 m-85 -46.52 147.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.38 154.93 46.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.59 57.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.58 -37.85 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 11.0 pt-20 -100.62 170.79 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.445 HD11 ' HE3' ' A' ' 25' ' ' MET . 19.1 mt -79.93 155.99 27.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 m -126.2 -48.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.504 HG11 HD11 ' A' ' 26' ' ' LEU . 9.3 p -44.63 -41.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.437 ' N ' HG13 ' A' ' 127' ' ' VAL . 30.6 p -55.69 -37.46 68.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 120' ' ' PHE . . . -77.22 -49.79 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -37.96 -44.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.463 HG23 ' CD1' ' A' ' 68' ' ' LEU . 59.8 mt -57.73 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -41.76 -52.9 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.431 ' CD1' ' CZ ' ' A' ' 116' ' ' TYR . 76.5 t90 -50.22 -49.21 53.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 137' ' ' ASN . 4.3 mt -56.47 -61.63 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 134' ' ' LEU . 27.3 mt-30 -35.11 -56.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -69.03 -36.01 77.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' LEU . 71.4 m-80 -102.82 53.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -133.54 -54.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 139' ' ' ALA . 3.7 m -36.99 -47.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.705 ' CE1' HD12 ' A' ' 109' ' ' LEU . 38.1 m-85 -68.56 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.891 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' LYS . 98.1 t -38.24 -39.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' VAL . 42.0 mttp -34.75 -65.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' SER . 61.1 mm-40 -53.24 -54.2 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 p -36.13 -56.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -75.71 -34.2 60.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -53.34 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.09 -14.93 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 15' ' ' SER . 34.2 mt-30 -86.49 -17.87 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.13 -37.08 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -75.39 -37.52 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.0 pp20? -64.86 -18.63 65.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mmm -73.88 -41.77 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.44 -48.79 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.522 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 8.1 ptp -55.92 -29.96 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.74 -49.92 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.2 m-85 -50.84 -43.46 59.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m -54.59 -42.59 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtm -60.66 -47.92 84.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' PHE . 32.7 m-85 -101.79 112.85 65.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.61 6.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -81.75 102.87 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -37.46 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -39.32 -48.03 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.85 -65.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' A' ' 64' ' ' PHE . 10.8 t -78.97 100.72 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -96.15 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mt -99.02 124.06 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.56 -34.7 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.02 128.33 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.21 -16.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -85.57 6.87 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.89 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.94 -40.83 75.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -63.21 -60.73 3.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -41.88 -36.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.489 HD11 HG13 ' A' ' 62' ' ' ILE . 93.4 mt -65.31 -51.22 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -53.65 -23.83 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -76.79 -43.89 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 4.0 t80 -61.12 -29.24 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.9 -53.32 58.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.02 -15.48 59.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.575 0.703 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.771 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.72 161.94 43.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 138.37 37.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -71.34 158.59 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 62' ' ' ILE . 89.1 mt -82.96 85.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.33 124.08 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.517 ' HE2' HD11 ' A' ' 66' ' ' ILE . 19.3 p90 -151.61 -178.44 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 80' ' ' GLN . 73.1 t -131.5 130.6 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' HE2' ' A' ' 64' ' ' PHE . 48.6 mt -107.79 125.62 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.737 HG23 ' HG2' ' A' ' 76' ' ' LYS . 73.0 m -86.79 97.38 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.3 mt -78.65 139.66 38.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.56 118.72 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLU . 33.4 mm -87.09 106.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' ILE . 13.2 pt-20 -33.89 -46.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.1 tt0 -160.05 122.79 1.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.669 0.747 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.8 148.84 87.64 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.386 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.29 83.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -126.22 167.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.737 ' HG2' HG23 ' A' ' 67' ' ' THR . 0.5 OUTLIER -107.35 137.07 46.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.2 mt -131.46 112.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -77.34 102.57 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.76 HD11 HD22 ' A' ' 94' ' ' LEU . 18.3 tp -90.18 97.54 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.494 ' HA ' HG22 ' A' ' 65' ' ' VAL . 13.5 mt-30 -75.48 103.25 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.541 HG23 HD21 ' A' ' 94' ' ' LEU . 1.8 p -97.95 143.97 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 m -140.05 104.99 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 2.1 mtt -101.26 103.24 25.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.827 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.488 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -85.05 11.56 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 17.5 m -111.08 -60.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.66 149.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.926 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.74 -22.77 9.42 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.299 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 45.0 m-85 -35.74 -47.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.52 HD23 ' C ' ' A' ' 90' ' ' LEU . 4.7 tt -97.59 150.46 21.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.492 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -71.93 95.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 93' ' ' GLN . 2.7 pp -51.95 175.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.625 ' N ' HD12 ' A' ' 92' ' ' LEU . 26.7 tp60 -118.48 143.94 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.76 HD22 HD11 ' A' ' 79' ' ' LEU . 7.3 mt -137.48 155.68 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.69 110.74 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.39 114.05 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.465 ' HD3' ' NE2' ' A' ' 106' ' ' GLN . 3.2 mmm180 -121.81 134.41 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 p -140.93 165.92 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -71.83 -35.89 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -66.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 101' ' ' LEU . 18.1 mt -40.91 147.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.02 -176.38 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -56.19 -59.0 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' GLN . 11.5 t-80 -55.88 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' HIS . 31.0 mt-30 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.465 ' NE2' ' HD3' ' A' ' 97' ' ' ARG . 17.5 mt-30 -49.55 -61.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -38.91 -45.44 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.64 -46.74 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.12 -64.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -45.01 -62.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -41.2 -54.24 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.58 -45.91 92.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' THR . 8.7 tp -65.18 -64.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.96 0.409 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . 21.0 p -37.37 -57.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.0 t -59.93 -45.88 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 31.6 t80 -50.66 -34.22 25.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.505 HG23 ' HB3' ' A' ' 126' ' ' CYS . 25.3 mm -82.64 -25.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.47 -17.13 61.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 78.6 p -78.14 -46.18 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.3 142.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.59 154.85 73.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.435 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.2 Cg_endo -69.76 153.26 69.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.34 -40.95 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 13.0 pt-20 -92.66 163.39 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.43 153.4 37.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.505 ' HB3' HG23 ' A' ' 117' ' ' ILE . 70.9 m -128.37 -40.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.19 -30.32 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 19.0 t -69.45 -29.02 66.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.37 -43.74 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -47.03 -50.07 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 60.7 mt -44.0 -57.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.13 -59.04 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.4 t90 -39.82 -43.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 135' ' ' GLN . 7.3 mt -65.4 -63.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 134' ' ' LEU . 30.7 mt-30 -35.77 -42.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.57 -44.17 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -92.09 50.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -127.73 -62.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.47 35.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.0 m -56.88 -27.36 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.53 -40.23 17.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.4 t -44.76 -37.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -41.28 -52.2 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -57.03 -64.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.05 -35.29 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -47.68 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.0 -34.44 77.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.844 ' HB3' HD12 ' A' ' 62' ' ' ILE . 1.8 mp0 -63.78 -18.9 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' LEU . 21.8 mt -87.16 -54.62 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.662 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.66 -36.51 64.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 26' ' ' LEU . 9.2 pt-20 -61.94 -18.88 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mmm -77.95 -65.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -45.87 -41.08 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.518 ' HE3' HD12 ' A' ' 21' ' ' LEU . 9.9 ptp -65.22 -38.56 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.636 HD23 ' CE ' ' A' ' 29' ' ' MET . 20.2 mt -71.32 -41.35 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -54.58 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.1 m -67.69 -22.55 65.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.636 ' CE ' HD23 ' A' ' 26' ' ' LEU . 13.6 mtm -77.96 -27.58 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -126.48 72.65 73.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.44 30.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' GLY . 6.6 m-20 -71.91 117.88 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.1 mt-30 35.12 33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 37.06 72.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -39.71 -33.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' ' 64' ' ' PHE . 14.4 t -75.16 108.81 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -100.72 114.03 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.8 109.24 21.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -56.47 -28.3 59.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.59 93.06 3.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -58.94 -16.6 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -98.39 20.42 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.91 -42.51 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.94 -45.11 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -59.63 -57.31 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -43.51 -44.56 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.8 -62.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -43.73 -41.51 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -61.25 -38.49 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -68.92 -32.55 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.7 -38.49 85.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.22 -3.73 57.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.86 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 155.97 64.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.49 21.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -49.84 177.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.844 HD12 ' HB3' ' A' ' 19' ' ' GLN . 84.3 mt -102.14 94.41 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -115.01 133.37 56.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.823 ' CD2' HG13 ' A' ' 36' ' ' VAL . 30.4 p90 -160.67 -179.48 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 79' ' ' LEU . 19.9 t -125.82 129.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.513 HD11 ' HE2' ' A' ' 64' ' ' PHE . 12.6 mt -106.55 128.0 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -86.79 107.25 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -79.24 109.54 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -84.56 78.61 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.87 105.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.36 -41.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -163.92 131.99 2.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.79 128.6 12.87 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.322 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 ttmt -46.9 103.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 142' ' ' PHE . 35.2 m -150.1 173.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -118.36 119.86 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.9 mt -119.17 118.9 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.53 109.01 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.915 HD11 HD22 ' A' ' 94' ' ' LEU . 10.3 tp -95.02 121.63 36.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -93.02 97.96 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -95.75 136.13 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -138.38 110.32 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.417 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -113.69 110.5 49.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.511 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -80.13 -4.16 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' TYR . 2.6 m -95.66 -61.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CE2' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -33.87 149.91 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.68 -3.11 7.39 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.349 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.401 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 6.7 m-30 -38.4 -50.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 90' ' ' LEU . 1.9 pp -104.82 -175.02 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.15 106.93 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.648 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.5 pp -58.22 167.89 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -110.63 128.11 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.915 HD22 HD11 ' A' ' 79' ' ' LEU . 8.2 mt -123.54 151.68 42.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -138.67 112.38 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.88 110.98 3.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.74 139.17 43.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 t -139.91 131.42 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 p -49.92 -28.27 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -81.64 -39.09 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.87 171.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -122.0 176.11 5.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.37 -50.0 71.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -61.06 -47.88 84.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.53 -54.66 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -46.69 -56.0 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.14 -40.23 6.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.2 mt -72.57 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 141' ' ' TYR . 4.2 tp -64.49 -57.9 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.502 ' ND2' ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER -52.19 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -45.47 -62.18 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.67 -33.48 9.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.535 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.419 HD21 HD13 ' A' ' 94' ' ' LEU . 7.4 tp -79.25 -67.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.8 p -38.11 -52.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 -39.2 93.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 t80 -61.51 -43.0 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 117' ' ' ILE . 23.8 mm -75.35 -6.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.72 1.06 88.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 p -100.02 2.17 43.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.331 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.18 160.02 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.47 156.55 39.33 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.82 15.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.48 -35.69 2.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.1 pt-20 -108.26 162.25 14.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -74.15 154.79 38.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.88 -39.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.5 p -51.77 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 23.9 p -56.41 -32.19 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.87 -52.12 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.04 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.5 mt -52.24 -57.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.49 -60.3 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.502 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 71.5 t90 -38.55 -53.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 137' ' ' ASN . 5.7 mt -52.74 -58.12 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 134' ' ' LEU . 65.9 mt-30 -37.28 -58.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -71.39 -26.83 62.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' CE2' ' A' ' 133' ' ' TRP . 69.6 m-80 -102.04 50.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -132.94 -62.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -39.79 -39.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.1 t -57.92 -43.6 86.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.435 ' CE1' HD12 ' A' ' 109' ' ' LEU . 47.1 m-85 -75.21 -4.34 38.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 75' ' ' VAL . 6.5 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.886 0.374 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 16' ' ' LEU . 89.9 t -42.45 -28.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -48.36 -47.83 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' GLN . 5.5 mp0 -63.99 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 25.7 p -35.88 -46.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 12' ' ' VAL . 16.9 mt -76.82 -38.58 53.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG3' HD12 ' A' ' 18' ' ' LEU . 1.5 tp60 -61.71 -58.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD12 ' HG3' ' A' ' 17' ' ' GLN . 9.4 mp -52.87 -32.44 44.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 62' ' ' ILE . 38.0 mt-30 -61.45 -22.52 65.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 47' ' ' ILE . 73.8 mt -83.69 -47.42 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.76 -32.06 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 125' ' ' LEU . 4.0 pt-20 -78.06 -32.85 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.85 -58.7 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.59 -35.92 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 19.8 mtm -69.63 -38.68 77.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.412 HD13 ' CZ ' ' A' ' 64' ' ' PHE . 19.7 mt -64.83 -45.33 86.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -54.62 -51.39 65.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 t -48.76 -52.31 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.1 mtm -56.34 -38.68 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -109.95 80.9 1.88 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.69 6.11 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -67.12 128.37 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.49 165.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.36 -47.61 3.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE1' ' CA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -40.76 -62.02 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.709 HG13 ' CD2' ' A' ' 64' ' ' PHE . 61.9 t -99.24 100.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -96.35 109.44 21.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.24 111.94 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -51.52 -29.02 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CG ' ' HB2' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -136.28 120.92 18.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.0 m -81.34 -16.53 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.01 8.09 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . . . -64.07 -48.1 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -67.76 -47.16 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.6 m -50.64 -51.55 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ARG . 86.7 m-20 -54.04 -54.42 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 HD21 ' A' ' 20' ' ' LEU . 69.5 mt -40.36 -50.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.48 -36.53 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 46' ' ' ASN . 30.3 mtp180 -70.14 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -91.98 -37.23 12.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.99 -39.37 93.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 121.573 0.702 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.83 156.16 63.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 129.03 16.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -57.95 162.14 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 19' ' ' GLN . 86.0 mt -89.93 105.6 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.47 127.23 46.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.709 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -153.59 178.16 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.26 126.33 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.578 HD11 ' HE2' ' A' ' 64' ' ' PHE . 63.6 mt -109.09 125.01 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -84.73 124.66 31.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.461 HD11 HG23 ' A' ' 131' ' ' ILE . 4.5 mm? -95.54 95.44 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.04 77.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.8 124.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.42 -53.14 61.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 7.7 tt0 -150.97 122.93 3.97 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.5 Cg_endo -69.75 154.58 93.3 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.347 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -75.96 90.92 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.3 m -135.38 176.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -119.2 137.07 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.81 108.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.73 108.57 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.936 HD11 HD22 ' A' ' 94' ' ' LEU . 25.6 tp -97.19 115.32 27.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.38 100.8 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.0 p -93.47 141.47 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -140.86 115.75 9.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.23 98.75 44.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.703 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 177.33 5.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.534 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -63.77 -7.59 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 58.7 m -91.88 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.71 149.92 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.3 Cg_endo -69.7 -25.56 7.91 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.318 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' PRO . 47.1 m-85 -33.85 -44.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 5.1 tt -101.83 148.92 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.96 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -61.73 177.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -117.02 130.42 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.936 HD22 HD11 ' A' ' 79' ' ' LEU . 10.0 mt -133.24 133.5 42.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.32 115.62 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.72 112.87 2.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -122.38 137.52 54.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -138.12 127.58 24.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -45.91 -49.97 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -53.51 -47.75 69.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 101' ' ' LEU . 13.1 mt -56.14 175.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.14 -178.42 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -73.09 -48.07 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.639 ' HA ' HD23 ' A' ' 107' ' ' LEU . 35.3 t60 -74.02 -25.05 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.54 -38.11 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -69.03 -54.15 16.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 107' ' ' LEU . 1.3 pp -45.1 -38.38 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 107' ' ' LEU . 33.0 mt -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 141' ' ' TYR . 6.0 tp -66.55 -63.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -43.12 -61.76 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -52.05 -45.73 64.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.68 72.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.533 HD13 ' HG ' ' A' ' 134' ' ' LEU . 7.5 tp -79.26 -48.99 13.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 119' ' ' THR . 68.4 m -68.4 -37.52 80.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -71.57 -38.31 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 130' ' ' ALA . 18.7 mm -75.02 -28.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.36 -15.94 70.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.53 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 115' ' ' SER . 72.0 p -73.52 -46.62 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 111.119 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -42.19 152.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.36 156.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.7 9.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.47 -19.69 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -118.87 173.3 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 22' ' ' GLU . 38.6 mt -80.07 154.73 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.617 ' HB3' HG23 ' A' ' 117' ' ' ILE . 62.0 m -124.32 -46.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.0 p -46.81 -32.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.41 -35.43 77.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.85 -51.81 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.7 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -40.16 -42.57 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 68' ' ' LEU . 96.3 mt -55.43 -70.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.85 -53.49 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -40.65 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.533 ' HG ' HD13 ' A' ' 113' ' ' LEU . 14.3 mt -40.21 -61.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -38.53 -64.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -59.11 -24.72 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' LEU . 25.2 m-80 -113.48 53.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -124.88 -51.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.62 82.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.0 m -43.65 -34.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.411 ' CE1' HD12 ' A' ' 109' ' ' LEU . 34.5 m-85 -86.25 -52.46 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.477 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 56.3 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 HD12 ' A' ' 16' ' ' LEU . 14.0 t -47.45 -20.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HE2' HD13 ' A' ' 51' ' ' LEU . 2.6 mtpm? -50.19 -62.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -64.05 -50.56 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.8 m -47.99 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.494 HD12 HG12 ' A' ' 12' ' ' VAL . 12.1 mt -55.06 -36.64 65.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -33.74 66.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.54 -25.29 50.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.895 ' HB3' HD12 ' A' ' 62' ' ' ILE . 69.6 mt-30 -76.59 -20.96 56.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 20' ' ' LEU . 17.9 mt -85.39 -41.42 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -74.75 -38.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp20? -63.56 -28.54 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.96 -39.85 69.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.99 -53.79 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.528 ' HE3' HD11 ' A' ' 21' ' ' LEU . 6.1 mtt -47.93 -35.39 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.81 -51.09 24.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -53.88 -40.48 66.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.7 -44.97 95.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.7 mtm -64.8 -19.81 66.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -122.13 81.16 44.0 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -40.45 5.32 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.53 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -49.38 135.89 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.57 85.94 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.06 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -111.41 -63.6 1.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 64' ' ' PHE . 58.1 t -85.33 127.76 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -118.52 110.11 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.4 mt -94.76 99.58 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -40.31 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -154.39 116.26 4.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 42' ' ' ASN . 27.2 m -69.22 -44.87 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.495 ' N ' HG23 ' A' ' 41' ' ' VAL . 1.7 m-80 -57.32 -12.7 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.0 -45.26 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 44' ' ' LEU . 4.4 mt -61.94 -45.33 94.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ASN . 86.8 m -58.99 -61.61 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' THR . 18.0 m-80 -37.71 -33.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 16' ' ' LEU . 85.7 mt -70.53 -49.25 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -46.56 -41.69 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.68 -30.78 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 12' ' ' VAL . 9.4 t80 -65.56 -29.3 69.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' HE2' ' A' ' 13' ' ' LYS . 4.6 mm? -79.14 -9.44 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -107.02 -30.08 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.885 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.885 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.7 153.21 69.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.93 143.24 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.895 HD12 ' HB3' ' A' ' 19' ' ' GLN . 86.7 mt -68.24 108.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -128.12 126.86 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.76 ' O ' HG12 ' A' ' 81' ' ' VAL . 4.5 p90 -156.33 165.92 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.717 HG11 ' OD2' ' A' ' 78' ' ' ASP . 58.4 t -114.58 126.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.63 HD11 ' HE2' ' A' ' 64' ' ' PHE . 83.6 mt -106.37 125.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.666 HG23 ' HG3' ' A' ' 76' ' ' LYS . 8.2 m -85.16 99.47 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD21 HD22 ' A' ' 79' ' ' LEU . 4.5 mm? -66.84 93.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -75.39 79.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 135' ' ' GLN . 44.7 mm -50.51 138.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.35 -43.91 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 9.5 tt0 -162.08 121.36 1.43 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.82 148.18 86.34 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.31 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -73.41 93.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.492 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 20.3 m -136.37 172.24 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.666 ' HG3' HG23 ' A' ' 67' ' ' THR . 33.7 tttt -107.64 135.74 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.455 HG23 ' OG ' ' A' ' 98' ' ' SER . 70.1 mt -134.55 99.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.717 ' OD2' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -64.32 114.26 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 94' ' ' LEU . 4.6 tp -110.0 96.82 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -73.19 99.02 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 64' ' ' PHE . 7.9 p -93.63 151.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -142.19 120.48 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.423 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 29.9 mtt -110.49 98.5 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.82 -178.37 2.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.565 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -76.31 -3.52 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 29.6 m -96.58 -62.15 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.31 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.942 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.79 -23.58 9.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 -0.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.455 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 43.6 m-85 -35.28 -46.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 4.8 tt -99.22 154.58 18.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -73.48 103.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.6 pp -57.2 177.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -119.75 125.73 49.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 79' ' ' LEU . 9.9 mt -127.26 137.1 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -140.52 110.97 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.485 ' H ' ' ND2' ' A' ' 110' ' ' ASN . . . -107.04 115.83 4.78 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -118.03 140.12 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.455 ' OG ' HG23 ' A' ' 77' ' ' ILE . 14.6 m -140.15 130.8 25.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -51.16 -36.71 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.76 -48.44 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 105' ' ' GLN . 81.8 mt -62.95 127.93 33.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.45 -179.2 6.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -47.51 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 105' ' ' GLN . 20.1 t60 -41.55 -55.05 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.485 ' HB3' HD22 ' A' ' 101' ' ' LEU . 1.1 mp0 -36.68 -53.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 108' ' ' LEU . 31.3 mt-30 -65.0 -50.58 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp -39.95 -29.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.9 mt -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.44 -59.43 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' ' 96' ' ' GLY . 24.0 m120 -58.83 -64.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -50.17 -55.17 16.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.89 -26.27 47.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.01 -59.99 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.5 p -38.64 -48.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -67.03 -48.1 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.461 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 43.8 t80 -51.64 -39.15 57.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 126' ' ' CYS . 30.2 mm -75.41 -20.12 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.07 -15.64 78.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -78.88 -10.01 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.62 154.39 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.15 149.61 38.93 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.567 0.698 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.455 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.3 Cg_endo -69.76 112.0 2.96 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 -36.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 12.6 pt-20 -97.4 165.94 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.14 152.88 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.513 ' HB3' HG23 ' A' ' 117' ' ' ILE . 27.3 m -124.6 -41.79 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.9 p -51.26 -30.16 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -62.89 -29.13 70.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.57 -46.72 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.52 -37.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.505 HG23 ' CD1' ' A' ' 68' ' ' LEU . 96.7 mt -61.49 -60.14 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.71 -51.52 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 74.3 t90 -47.01 -46.94 22.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.432 HD13 ' HG ' ' A' ' 68' ' ' LEU . 7.4 mt -58.64 -65.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 70' ' ' ILE . 51.1 mt-30 -46.51 -45.57 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -54.68 -55.22 32.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' TYR . 1.7 m-80 -106.97 55.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -104.92 -57.6 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.93 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -54.64 -20.93 9.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 137' ' ' ASN . 16.5 m-85 -90.44 -49.9 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.492 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 23.4 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.7 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 t -59.88 -32.11 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -44.65 -32.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLN . 8.8 mm-40 -78.5 -67.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' GLU . 45.7 p -38.37 -46.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.77 -38.62 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -59.2 -38.2 79.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.75 -28.33 55.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 62' ' ' ILE . 46.2 mt-30 -68.39 -24.64 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.31 -53.87 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.693 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.3 pp -54.1 -40.2 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.605 ' N ' HD12 ' A' ' 21' ' ' LEU . 7.6 pt-20 -56.71 -34.22 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 81.5 mmm -52.87 -43.01 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.39 -37.08 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.422 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 9.6 mtt -70.97 -38.61 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.64 -48.18 56.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -55.66 -48.7 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -54.73 -45.4 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 41.4 mtm -59.88 -37.97 80.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -108.67 80.73 1.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -31.01 21.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -70.21 108.36 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -47.25 140.65 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 -43.64 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -44.97 -63.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG13 ' CD2' ' A' ' 64' ' ' PHE . 57.4 t -93.2 116.31 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -118.19 112.0 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 64' ' ' PHE . 12.7 mt -91.92 94.76 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -43.83 -33.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.91 90.29 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.23 -35.15 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -69.29 -12.19 61.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.84 63.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 38' ' ' LEU . 8.0 mt -53.82 -40.45 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ASN . 98.2 m -68.3 -59.61 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' THR . 11.8 m-80 -36.46 -44.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.9 mt -57.26 -65.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -37.65 -41.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -59.14 -45.33 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' ILE . 31.5 t80 -70.19 -15.46 62.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.52 -41.76 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.81 -20.14 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.644 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.644 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.78 166.77 26.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.65 69.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.46 174.73 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.81 98.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -117.79 131.3 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.518 ' HB3' HD23 ' A' ' 38' ' ' LEU . 6.9 p90 -156.33 176.34 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.09 128.24 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.422 HD11 ' HE2' ' A' ' 64' ' ' PHE . 29.9 mt -107.24 126.62 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -88.41 121.11 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.9 mm? -91.12 101.08 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 77.21 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.6 mm -55.79 122.07 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.11 -44.28 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -167.85 133.47 1.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.75 131.77 20.27 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.37 0.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 8.9 ttmt -52.38 103.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 73' ' ' PRO . 22.5 m -143.16 -176.92 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -123.99 137.01 54.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.44 117.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.99 113.38 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.872 HD11 HD22 ' A' ' 94' ' ' LEU . 22.3 tp -102.12 101.76 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -79.99 95.11 6.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 127' ' ' VAL . 2.2 p -91.64 141.32 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -140.48 107.54 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.535 ' HB3' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -105.7 98.73 18.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.8 Cg_endo -69.73 166.17 28.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.539 ' CD2' ' H ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -47.97 -23.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 61.1 m -75.47 -66.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.22 149.33 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.694 0.759 . . . . 0.0 110.944 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -25.06 8.25 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.307 0.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -34.16 -43.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.5 tt -100.63 147.58 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.53 99.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 94' ' ' LEU . 4.0 pp -52.58 177.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.495 ' N ' HD12 ' A' ' 92' ' ' LEU . 32.9 tt0 -123.24 122.36 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.872 HD22 HD11 ' A' ' 79' ' ' LEU . 3.9 mt -120.83 147.64 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -145.67 124.55 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.64 138.16 14.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -138.2 135.47 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.596 ' HB3' HD12 ' A' ' 101' ' ' LEU . 32.1 t -140.54 118.67 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -38.14 -42.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.92 -63.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 98' ' ' SER . 95.4 mt -39.92 130.68 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -92.85 160.95 14.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' ASP . 15.9 tpt180 -34.78 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.459 ' NE2' HD11 ' A' ' 108' ' ' LEU . 54.2 t60 -39.55 -50.26 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.32 -70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -39.55 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -65.96 -53.97 32.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 104' ' ' HIS . 98.3 mt -59.74 -29.68 68.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.77 -46.74 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -69.43 -63.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -39.61 -46.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.48 91.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 5.9 tp -62.78 -57.01 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.3 p -40.89 -52.51 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.57 -50.41 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.407 ' CD1' ' CD1' ' A' ' 133' ' ' TRP . 61.0 t80 -51.92 -25.68 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 130' ' ' ALA . 35.9 mm -87.38 -36.26 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.29 -19.7 53.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 120' ' ' PHE . 36.9 p -67.18 -52.65 38.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 129' ' ' ALA . 12.2 m-85 -35.35 142.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.74 156.24 67.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.43 -50.69 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -86.87 162.23 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.2 mt -68.27 151.74 46.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.6 m -125.79 -36.4 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 81' ' ' VAL . 9.0 p -52.31 -36.69 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.7 t -55.71 -34.2 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 120' ' ' PHE . . . -75.8 -51.25 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -40.19 -40.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.78 -65.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.76 -56.91 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t90 -40.13 -62.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -46.19 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -44.34 -59.46 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.15 -44.05 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -117.19 59.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.4 t -107.4 -59.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -54.92 -45.59 74.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.7 t -41.11 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 m-85 -91.12 -49.46 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 101' ' ' LEU . 29.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 73.1 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.874 0.369 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.2 t -36.35 -41.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' O ' HD21 ' A' ' 51' ' ' LEU . 45.5 mttt -36.25 -53.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.47 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -42.31 -55.6 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.705 HD22 HG12 ' A' ' 47' ' ' ILE . 41.2 mt -57.44 -42.53 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -49.11 -59.88 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 18' ' ' LEU . 6.2 mp -61.26 -38.08 85.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.779 ' HB3' HD12 ' A' ' 62' ' ' ILE . 15.8 mt-30 -53.9 -23.04 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.479 HD23 HD11 ' A' ' 62' ' ' ILE . 85.7 mt -90.16 -50.93 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.824 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -58.3 -29.61 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.649 ' OE1' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.53 -20.27 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' LEU . 87.5 mmm -78.02 -66.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -41.98 -33.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 14.5 ptp -76.94 -37.85 54.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.649 HD12 ' OE1' ' A' ' 22' ' ' GLU . 16.2 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.11 -39.32 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -73.87 -37.92 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.2 mtp -58.27 -39.8 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' HZ ' HD13 ' A' ' 131' ' ' ILE . 57.9 m-85 -106.29 94.86 10.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.49 37.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.41 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -50.62 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -108.06 -54.47 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' OE1' ' A' ' 35' ' ' GLU . . . -98.84 76.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -134.07 -48.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.403 . . . . 0.0 110.907 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.561 HG13 ' CD2' ' A' ' 64' ' ' PHE . 9.6 t -113.68 102.95 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -102.36 126.5 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.76 118.93 38.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.55 -29.88 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -167.18 109.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -53.98 -22.25 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 15.4 m-80 -60.37 -23.92 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.01 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.72 -39.03 87.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ILE . 92.5 m -61.7 -67.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 59' ' ' PRO . 14.2 m-20 -36.26 -32.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.705 HG12 HD22 ' A' ' 16' ' ' LEU . 48.8 mt -71.0 -58.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.25 -32.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -71.31 -53.97 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -52.62 -30.37 31.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 13' ' ' LYS . 12.6 mt -59.31 -42.42 91.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -30.08 25.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.835 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 126.55 13.41 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -47.41 162.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.779 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.6 mt -88.1 87.3 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.55 129.99 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' HG13 ' A' ' 36' ' ' VAL . 7.8 p90 -159.83 -179.88 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.8 t -121.77 126.31 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.456 HD11 ' HE2' ' A' ' 64' ' ' PHE . 33.1 mt -106.57 132.7 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.7 m -90.51 133.11 35.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.686 HD11 HG23 ' A' ' 131' ' ' ILE . 4.4 mm? -108.58 103.41 12.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.66 95.7 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 73' ' ' PRO . 18.7 mm -71.88 116.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -51.47 -65.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tp10 -133.98 119.25 14.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 177.17 29.74 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.378 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -96.01 99.29 11.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.428 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 21.3 m -144.98 176.1 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -118.85 127.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.57 113.44 25.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.796 HD11 HD22 ' A' ' 94' ' ' LEU . 4.4 tp -104.32 103.96 13.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.472 ' O ' HD23 ' A' ' 94' ' ' LEU . 4.2 mm100 -74.68 120.75 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.3 p -115.89 140.71 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 106.73 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.429 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -106.88 103.21 46.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.78 -166.28 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -81.36 10.8 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 38.1 m -110.34 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.58 150.03 0.11 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.666 0.746 . . . . 0.0 110.908 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -24.65 8.46 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.342 -0.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 29.0 m-85 -34.41 -44.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.1 tt -99.91 148.91 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.62 102.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -57.23 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' N ' HD12 ' A' ' 92' ' ' LEU . 36.5 tt0 -125.97 116.45 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 79' ' ' LEU . 8.9 mt -118.53 148.91 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -147.73 121.86 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.24 118.24 5.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -136.74 135.42 38.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 t -137.08 154.45 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -60.46 -47.59 85.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.34 -55.47 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 105' ' ' GLN . 54.0 mt -45.66 137.89 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -95.53 175.15 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -48.3 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.441 ' CD2' HD11 ' A' ' 108' ' ' LEU . 11.8 t60 -46.89 -53.33 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.548 ' HB3' HD22 ' A' ' 101' ' ' LEU . 6.7 mp0 -49.72 -55.73 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -49.36 -59.87 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.0 mt -47.57 -63.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 104' ' ' HIS . 59.4 mt -47.69 -51.19 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.96 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -39.66 -56.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.26 -50.68 58.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.522 HD11 ' HB1' ' A' ' 130' ' ' ALA . 13.2 tp -58.74 -64.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.2 p -37.94 -49.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 t -66.59 -48.92 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 29.5 t80 -49.18 -28.7 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 126' ' ' CYS . 26.4 mm -88.97 -23.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.47 -22.25 69.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -72.07 -20.94 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -67.09 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.98 155.12 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.546 0.689 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.438 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.6 Cg_endo -69.72 119.67 6.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.49 -42.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.546 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.4 pt-20 -99.0 178.15 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.84 153.34 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.662 ' HB3' HG23 ' A' ' 117' ' ' ILE . 10.0 m -125.47 -42.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.86 -23.9 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.49 -38.6 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.81 -52.06 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -38.85 -37.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.686 HG23 HD11 ' A' ' 68' ' ' LEU . 80.8 mt -60.74 -69.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -50.58 -42.9 56.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 89.2 t90 -55.16 -64.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 135' ' ' GLN . 10.5 mt -40.55 -56.2 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.4 mt-30 -34.43 -63.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.39 -45.73 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -83.95 49.41 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 m -131.98 -55.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.99 -38.61 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 t -62.92 -38.08 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -68.28 -54.98 13.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.487 ' CE1' HD21 ' A' ' 101' ' ' LEU . 25.4 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.959 0.409 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 92.7 t -38.12 -43.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' VAL . 83.8 mttt -34.67 -50.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.9 -68.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -40.09 -64.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.9 mt -40.56 -43.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -52.86 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 18' ' ' LEU . 6.5 mp -58.56 -21.47 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.831 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.8 mt-30 -82.35 -18.82 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD11 ' CG2' ' A' ' 47' ' ' ILE . 82.6 mt -92.21 -27.1 17.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -81.27 -32.96 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.637 ' OE1' HD22 ' A' ' 125' ' ' LEU . 10.7 pt-20 -75.69 -33.78 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.6 mmm -60.63 -57.67 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.87 -29.93 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.8 mtm -78.16 -24.91 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.5 -46.71 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -51.62 -51.13 58.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -58.06 -36.67 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.3 mtm -67.6 -23.68 65.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -121.74 83.79 42.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -39.34 6.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -41.31 108.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.84 95.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.77 41.67 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -109.14 -56.18 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' A' ' 64' ' ' PHE . 93.4 t -94.45 116.93 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' CG ' ' HB ' ' A' ' 65' ' ' VAL . 11.1 ptpt -106.48 118.59 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 64' ' ' PHE . 10.6 mt -103.67 125.8 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -62.31 -25.74 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -149.48 113.34 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.68 -19.63 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.1 m-80 -85.52 15.06 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.15 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.38 -45.94 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -58.18 -59.1 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 72.0 m-20 -39.76 -47.46 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.492 ' CG2' HD11 ' A' ' 20' ' ' LEU . 67.4 mt -54.2 -63.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.0 mtpt -38.02 -31.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 57.2 mtp180 -77.36 -42.61 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' ILE . 40.0 t80 -66.13 -12.46 55.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 48' ' ' LYS . 85.6 mt -86.85 -46.44 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.24 -24.91 67.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.677 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.79 158.15 57.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.81 22.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -53.51 160.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.0 mt -91.06 91.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.93 55.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.525 ' CD2' HG13 ' A' ' 36' ' ' VAL . 16.7 p90 -152.56 176.43 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.575 ' HB ' ' CG ' ' A' ' 37' ' ' LYS . 55.4 t -116.02 128.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.511 HD11 ' HE2' ' A' ' 64' ' ' PHE . 39.8 mt -108.32 131.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.6 m -92.42 120.56 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.7 102.44 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -75.51 71.95 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 mm -55.41 115.99 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.48 -57.16 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.0 tt0 -147.28 123.86 5.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.75 148.89 87.63 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.322 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -72.24 97.88 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.8 m -140.57 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -127.26 133.53 50.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.7 mt -133.4 125.96 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 115.71 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.604 HD11 HD22 ' A' ' 94' ' ' LEU . 13.3 tp -108.6 95.88 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -75.06 100.62 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.547 HG23 HD21 ' A' ' 94' ' ' LEU . 3.0 p -94.87 145.29 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -140.58 113.75 8.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.51 ' CE ' HG11 ' A' ' 127' ' ' VAL . 8.0 mtt -104.05 98.62 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.35 42.42 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.526 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 2.2 m170 -50.85 -17.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' TYR . 38.5 m -82.84 -64.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.695 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -35.09 149.11 0.11 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.732 0.777 . . . . 0.0 110.856 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.5 Cg_endo -69.75 -24.56 8.5 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.342 -0.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 5.6 m-85 -33.25 -43.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 91' ' ' ALA . 8.7 tt -100.59 154.82 18.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.769 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -74.54 92.65 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -46.12 173.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -119.42 121.76 40.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.604 HD22 HD11 ' A' ' 79' ' ' LEU . 7.9 mt -115.85 136.29 53.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -132.29 102.86 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.86 120.73 6.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . 7.7 ptt180 -128.16 146.47 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -140.54 136.18 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.9 p -52.4 -45.03 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.23 -54.13 48.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 105' ' ' GLN . 65.7 mt -54.93 145.42 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -105.03 176.23 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -47.1 -53.49 12.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.68 -44.23 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.543 ' HB3' HD22 ' A' ' 101' ' ' LEU . 12.6 mm100 -65.65 -70.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' A' ' 97' ' ' ARG . 31.9 mt-30 -35.61 -39.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.7 OUTLIER -66.25 -56.46 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.85 -45.99 71.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.54 -64.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -48.14 -56.82 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -52.57 -51.57 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.11 -41.25 92.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' TYR . 6.9 tp -69.74 -65.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LEU . 39.3 p -34.85 -48.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 119' ' ' THR . 14.1 m -64.72 -43.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 13.1 t80 -59.44 -25.48 64.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 130' ' ' ALA . 26.1 mm -91.2 -35.1 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.55 -7.05 9.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 115' ' ' SER . 22.3 p -92.06 -8.52 45.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -73.64 147.79 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.28 152.1 52.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.462 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.9 Cg_endo -69.77 131.8 21.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.34 -40.37 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.74 165.24 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.637 HD22 ' OE1' ' A' ' 22' ' ' GLU . 29.8 mt -76.46 152.37 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.6 m -127.51 -54.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.51 HG11 ' CE ' ' A' ' 83' ' ' MET . 10.0 p -43.25 -33.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 38.6 t -60.67 -40.63 92.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' ALA . . . -75.97 -50.58 14.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -37.5 -50.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.19 -65.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -54.8 -48.19 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.559 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.8 t90 -48.38 -50.93 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 79' ' ' LEU . 8.2 mt -55.24 -58.63 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 134' ' ' LEU . 32.6 mt-30 -34.81 -49.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.09 -45.27 42.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -90.04 38.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 m -125.62 -43.8 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.66 67.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 p -63.27 -19.19 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -85.94 -53.14 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 5.4 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.937 0.399 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -44.28 -41.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.897 ' HG2' HD23 ' A' ' 51' ' ' LEU . 12.4 mtmm -41.49 -59.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.98 -49.07 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 63.2 m -45.03 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.87 -40.07 83.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 3.2 tp60 -49.46 -55.19 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.12 -24.41 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -80.15 -15.27 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 13.9 mt -82.77 -36.35 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -71.82 -36.08 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 25' ' ' MET . 22.2 pt-20 -68.43 -22.33 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.6 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -60.41 -34.49 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.23 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.495 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 9.0 ptp -46.2 -41.19 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.51 -46.92 87.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 23' ' ' MET . 18.2 m-85 -59.01 -49.57 77.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -56.66 -43.9 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 mtm -61.44 -17.07 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 131' ' ' ILE . 74.2 m-85 -127.02 85.12 61.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.59 18.27 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.43 157.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -103.15 110.84 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 32.45 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -98.76 -69.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.18 105.83 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -95.59 103.13 14.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -84.99 109.55 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -46.98 -33.78 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.787 ' CG ' ' HB2' ' A' ' 43' ' ' ALA . 10.7 p-10 -138.84 132.57 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.27 -32.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.4 p30 -79.14 2.38 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.787 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . . . -63.03 -39.79 95.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 44' ' ' LEU . 5.6 mt -69.41 -45.91 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.621 HG22 ' HD3' ' A' ' 49' ' ' ARG . 98.1 m -59.95 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 50.1 m-80 -33.77 -38.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.544 ' CD1' HD11 ' A' ' 62' ' ' ILE . 94.7 mt -63.76 -52.19 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' THR . 74.2 mttt -55.24 -59.04 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.621 ' HD3' HG22 ' A' ' 45' ' ' THR . 1.5 mpt_? -44.74 -52.94 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' GLY . 1.2 t80 -54.54 -51.44 65.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.897 HD23 ' HG2' ' A' ' 13' ' ' LYS . 11.2 mt -46.2 -21.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -30.18 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.776 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.636 0.732 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.776 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 154.29 67.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.76 134.42 27.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.31 150.87 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 47' ' ' ILE . 82.1 mt -79.3 88.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.07 126.56 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CE1' HG11 ' A' ' 81' ' ' VAL . 17.9 p90 -151.67 179.93 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG22 ' OE1' ' A' ' 80' ' ' GLN . 21.7 t -127.34 126.54 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.53 124.94 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.1 m -76.95 121.96 24.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.54 94.22 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.03 78.96 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.55 115.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -44.94 -42.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -165.86 131.25 1.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.2 Cg_endo -69.72 127.93 11.66 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.307 -0.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 1.3 tppt? -49.69 91.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' PRO . 34.7 m -134.18 -176.77 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -123.53 128.51 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.4 mt -129.72 99.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 113.62 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD11 HD22 ' A' ' 94' ' ' LEU . 15.1 tp -104.16 109.56 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.483 ' OE1' HG22 ' A' ' 65' ' ' VAL . 31.6 mm-40 -90.58 102.15 14.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 94' ' ' LEU . 1.3 p -92.01 144.41 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 m -136.86 106.78 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.403 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -106.83 98.65 21.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.242 . . . . 0.0 112.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -73.97 -1.1 18.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 25.5 m -97.38 -62.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.79 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -34.18 147.5 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.739 . . . . 0.0 110.936 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 52.8 Cg_endo -69.8 -24.89 8.35 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.314 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.5 m-85 -33.93 -42.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 2.7 tt -101.61 149.74 23.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.46 94.79 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.79 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -48.99 177.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -127.48 122.49 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD22 HD11 ' A' ' 79' ' ' LEU . 5.5 mt -114.29 147.69 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.15 109.91 6.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.01 114.35 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.416 ' CB ' ' NE2' ' A' ' 106' ' ' GLN . 21.4 ptt85 -134.91 147.38 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -140.95 148.34 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.8 p -48.02 -39.01 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.01 -37.07 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 101' ' ' LEU . 12.1 mt -77.97 125.51 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -88.16 176.94 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -58.28 -37.76 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.605 ' HA ' HD23 ' A' ' 107' ' ' LEU . 72.1 t60 -65.58 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 108' ' ' LEU . 18.0 mt-30 -41.66 -41.85 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' CB ' ' A' ' 97' ' ' ARG . 34.1 mt-30 -56.06 -47.23 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 104' ' ' HIS . 0.6 OUTLIER -55.58 -40.39 71.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 105' ' ' GLN . 12.1 mt -66.98 -53.1 34.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.477 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 7.7 tp -53.05 -54.57 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' GLY . 29.7 m-80 -56.9 -65.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -40.09 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -83.23 -40.15 9.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.636 HD21 HD13 ' A' ' 94' ' ' LEU . 3.3 tp -74.72 -55.57 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 20.6 p -34.91 -59.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 119' ' ' THR . 19.1 m -55.93 -57.66 11.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.48 -31.86 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.787 HG23 ' HB3' ' A' ' 126' ' ' CYS . 16.2 mm -81.64 -33.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.18 -5.49 89.61 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 115' ' ' SER . 80.7 p -78.1 -12.91 60.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -75.72 -177.38 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.7 160.13 29.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.15 -20.99 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.93 170.74 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 21' ' ' LEU . 47.2 mt -95.91 142.02 28.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.787 ' HB3' HG23 ' A' ' 117' ' ' ILE . 56.3 m -115.57 -48.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -41.22 -34.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.58 -40.85 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 126' ' ' CYS . . . -76.83 -45.36 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.607 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -39.47 -50.92 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.413 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 94.7 mt -53.1 -74.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -44.42 -55.55 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 86.8 t90 -44.67 -54.35 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.69 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -42.32 -55.97 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.22 -37.82 78.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -112.48 62.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.5 t -125.54 -46.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.72 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.3 t -44.55 -33.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 109' ' ' LEU . 12.3 m-85 -80.2 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' VAL . 75.6 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.943 0.401 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 87.5 t -36.72 -36.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' CG ' HD23 ' A' ' 51' ' ' LEU . 17.2 mtmm -44.42 -56.3 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' SER . 10.0 mm-40 -54.49 -66.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.2 p -36.21 -60.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.86 -34.03 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.543 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 1.5 tp60 -61.38 -56.17 23.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.22 -26.19 50.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.709 ' HB3' HD12 ' A' ' 62' ' ' ILE . 75.0 mt-30 -70.39 -15.26 62.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.7 mt -88.76 -44.2 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -60.21 -33.93 72.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.82 -32.43 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.15 -45.33 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 25' ' ' MET . 8.6 pt-20 -70.02 -42.69 72.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.409 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 14.8 mtm -60.57 -34.0 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.12 -51.23 48.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -51.33 -43.94 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -58.24 -41.54 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 mtm -71.52 -20.17 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 76.6 m-85 -118.97 84.67 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.0 4.64 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.0 134.42 57.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.76 -41.45 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.46 56.96 4.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -128.8 -65.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 64' ' ' PHE . 95.9 t -104.98 121.71 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -113.34 118.19 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 64' ' ' PHE . 13.7 mt -112.64 109.73 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -40.02 -37.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -150.52 126.28 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.57 -15.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -72.44 -10.28 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.79 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.43 HD21 ' SD ' ' A' ' 23' ' ' MET . 9.4 mt -72.27 -36.48 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.3 m -65.76 -57.71 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -38.6 -45.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' TYR . 93.0 mt -56.44 -62.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -39.62 -44.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -62.78 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.7 t80 -60.89 -52.36 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.524 HD23 ' CG ' ' A' ' 13' ' ' LYS . 50.6 mt -47.37 -35.08 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.66 -29.91 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.645 0.736 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.8 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 152.25 69.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -49.41 173.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 19' ' ' GLN . 79.8 mt -101.09 95.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -116.78 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.565 ' HD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -153.64 -177.99 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.6 t -129.1 126.53 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.71 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 47.5 mt -107.55 137.2 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 76' ' ' LYS . 79.3 m -93.81 116.03 28.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.429 HD21 HD22 ' A' ' 79' ' ' LEU . 4.5 mm? -81.18 93.39 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -74.44 86.7 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.6 mm -64.44 106.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -39.63 -47.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.8 tt0 -160.91 125.26 2.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.73 148.11 85.99 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 -1.816 . . . . 0.0 112.367 -0.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.57 101.14 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.11 172.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HG3' HG23 ' A' ' 67' ' ' THR . 13.3 ttmt -114.6 131.5 56.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.2 mt -135.32 112.45 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.86 117.76 18.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.834 HD11 HD22 ' A' ' 94' ' ' LEU . 10.8 tp -105.46 106.19 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -81.2 97.5 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 94' ' ' LEU . 5.2 p -94.12 143.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.9 m -136.04 118.21 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.445 ' CE ' HG11 ' A' ' 127' ' ' VAL . 12.4 mtt -111.26 98.59 40.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.521 0.677 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.7 173.03 11.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.594 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -68.22 -2.69 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.473 ' CB ' HD23 ' A' ' 90' ' ' LEU . 3.2 m -95.83 -63.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.04 149.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.715 0.769 . . . . 0.0 110.873 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.8 Cg_endo -69.79 -4.31 8.26 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -38.92 -51.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 90' ' ' LEU . 2.8 pp -104.96 -174.15 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.612 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -96.86 100.42 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.4 pp -45.67 171.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -117.3 119.0 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.834 HD22 HD11 ' A' ' 79' ' ' LEU . 9.2 mt -117.72 142.18 47.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -146.34 114.66 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.83 119.57 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.26 138.19 52.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -140.2 163.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -83.75 -43.11 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.92 -34.68 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.45 151.31 46.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ARG . 9.3 m-20 -112.09 157.3 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 19.8 ttp-105 -37.09 -63.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -45.85 -58.72 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LEU . 9.2 mm100 -51.5 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' GLN . 22.6 mt-30 -36.75 -50.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.0 -43.0 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLN . 36.5 mt -65.74 -50.87 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.1 -59.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -54.48 -65.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -44.02 -50.45 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.3 -43.25 98.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.28 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.9 p -40.5 -54.12 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -60.42 -43.16 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.35 -37.53 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' A' ' 126' ' ' CYS . 47.6 mm -79.63 -29.9 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.08 52.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.7 p -71.35 -47.19 57.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -40.43 148.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.05 157.88 37.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 151.29 68.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.13 -41.8 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -97.58 168.28 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.17 148.58 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.529 ' HB3' HG23 ' A' ' 117' ' ' ILE . 56.4 m -122.24 -43.14 2.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.445 HG11 ' CE ' ' A' ' 83' ' ' MET . 5.2 p -47.96 -30.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.89 -39.69 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -45.37 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -43.34 -52.15 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 61.5 mt -43.26 -61.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -59.0 -45.86 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -52.45 -41.32 63.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 79' ' ' LEU . 6.2 mt -65.74 -62.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 134' ' ' LEU . 66.0 mt-30 -36.52 -49.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.56 -55.97 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -81.81 47.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 m -130.69 -60.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.91 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -59.89 -45.75 91.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -51.7 -42.2 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' LYS . 66.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 11' ' ' SER . 25.3 t -35.72 -30.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' SER . 57.0 mttp -37.92 -55.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -51.6 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 16' ' ' LEU . 5.0 p -43.08 -58.74 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.621 HD13 HG23 ' A' ' 47' ' ' ILE . 14.5 mt -53.86 -34.43 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -53.68 44.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.88 -15.78 56.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.537 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.5 mt-30 -85.14 -16.4 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.5 -50.87 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.52 -39.5 91.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.572 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.7 pt-20 -54.88 -36.12 64.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.1 mmm -52.71 -50.28 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.76 -37.19 63.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.7 mtt -70.78 -39.73 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.82 -35.82 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.71 -38.38 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -65.36 -38.69 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.5 mtp -69.01 -25.45 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 131' ' ' ILE . 64.8 m-85 -117.39 81.41 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.42 20.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 m120 -65.9 92.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -45.6 90.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 163.64 -49.82 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -38.04 -56.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 64' ' ' PHE . 75.7 t -85.46 103.82 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -97.09 110.87 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.68 119.82 30.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.81 -32.86 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -152.73 130.13 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 m -70.63 -12.17 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -98.47 10.97 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.15 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD2' HG12 ' A' ' 62' ' ' ILE . 5.2 mt -80.76 -42.92 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -58.93 -55.59 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -45.75 -30.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.621 HG23 HD13 ' A' ' 16' ' ' LEU . 89.1 mt -78.19 -43.36 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.37 -38.77 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -67.72 -24.63 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 5.3 t80 -75.26 -35.42 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.48 -44.29 97.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.62 -27.62 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.666 0.746 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.9 4.78 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -52.98 176.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 19' ' ' GLN . 34.0 mt -94.7 98.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -120.15 124.34 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.522 ' HE2' HD11 ' A' ' 66' ' ' ILE . 2.7 p90 -149.18 179.95 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -121.01 124.46 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.522 HD11 ' HE2' ' A' ' 64' ' ' PHE . 32.5 mt -106.54 128.22 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.8 m -88.09 133.47 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.428 HD12 ' CG ' ' A' ' 135' ' ' GLN . 4.3 mm? -99.78 108.23 20.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.14 77.94 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.459 ' N ' HD13 ' A' ' 70' ' ' ILE . 4.8 mm -57.28 122.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.57 -51.71 68.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 tt0 -155.98 123.92 2.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 151.31 91.28 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.34 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.99 97.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.16 172.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -120.61 133.96 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -132.6 104.76 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 113.5 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.946 HD11 HD22 ' A' ' 94' ' ' LEU . 20.7 tp -105.28 124.48 49.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -97.8 100.05 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.543 HG23 HD21 ' A' ' 94' ' ' LEU . 2.2 p -90.7 127.61 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -129.35 96.82 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.511 ' HE1' HG21 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -84.0 117.92 69.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.424 ' HG2' HD11 ' A' ' 90' ' ' LEU . 53.9 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -97.01 9.22 42.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.605 ' CB ' HD12 ' A' ' 90' ' ' LEU . 28.2 m -113.35 -54.75 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.81 150.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.703 0.763 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.76 -5.2 8.75 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.5 m-30 -34.34 -44.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.674 HD22 ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -128.98 173.72 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.674 ' N ' HD22 ' A' ' 90' ' ' LEU . . . -74.23 114.43 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.591 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -62.95 -174.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -107.38 135.4 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 79' ' ' LEU . 11.5 mt -140.34 142.65 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -149.53 113.37 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.18 120.67 6.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -113.44 134.6 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -139.39 152.94 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.5 p -74.89 -36.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.24 -52.36 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 61.1 mt -51.07 146.85 5.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -109.45 164.29 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -43.39 -53.96 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.79 -65.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLN . 10.9 mm100 -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 105' ' ' GLN . 1.1 tt0 -34.41 -59.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.84 -57.13 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -48.83 -55.09 12.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -57.63 9.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -52.53 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -43.17 -53.24 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.03 -34.07 77.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.44 -60.59 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.5 p -42.96 -61.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.1 t -49.82 -50.97 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 133' ' ' TRP . 18.4 t80 -52.32 -29.24 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 126' ' ' CYS . 23.5 mm -85.25 -18.12 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.08 -11.99 84.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.3 p -76.34 -35.39 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.35 156.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.96 156.96 41.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 105.42 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.17 -45.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.3 mm-40 -79.67 176.8 9.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.64 142.18 28.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.638 ' HB3' HG23 ' A' ' 117' ' ' ILE . 77.1 m -115.69 -40.25 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.511 HG21 ' HE1' ' A' ' 83' ' ' MET . 11.3 p -51.88 -29.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.05 -24.21 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.13 -28.18 18.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.28 74.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 96.3 mt -65.14 -65.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -53.97 -37.64 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' ND2' ' A' ' 137' ' ' ASN . 88.7 t90 -61.35 -46.22 91.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' SER . 8.0 mt -59.05 -56.24 24.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.428 ' CG ' HD12 ' A' ' 68' ' ' LEU . 45.4 mt-30 -51.66 -53.66 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.69 -36.79 84.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.461 ' ND2' ' CD1' ' A' ' 133' ' ' TRP . 39.3 m-20 -111.74 43.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.1 t -107.74 -55.54 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' PHE . . . -52.0 -49.23 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.7 t -42.29 -38.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -79.97 -30.81 39.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.495 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 26.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 52.7 t -50.26 -44.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' VAL . 47.4 mttt -36.71 -53.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -52.3 -67.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -38.46 -63.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.778 HD13 HG23 ' A' ' 47' ' ' ILE . 46.7 mt -45.16 -37.21 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -45.15 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 18' ' ' LEU . 4.0 mp -74.13 -23.06 59.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.665 ' OE1' HD23 ' A' ' 16' ' ' LEU . 10.7 mt-30 -69.64 -30.06 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 62' ' ' ILE . 46.3 mt -88.66 -23.75 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.2 mt -62.13 -58.02 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.907 ' OE1' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -47.07 -39.07 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 55.6 mmm -44.53 -51.7 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.92 -41.18 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 29.0 mtt -70.87 -65.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.907 HD12 ' OE1' ' A' ' 22' ' ' GLU . 75.0 mt -41.98 -44.96 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 23' ' ' MET . 9.3 m-85 -57.81 -47.19 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -62.99 -38.27 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.2 mtm -71.01 -26.49 63.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -126.46 80.48 69.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.54 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 32.2 m-20 -49.76 118.07 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 92.36 -38.61 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.438 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.8 mm-40 -36.13 -71.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.662 HG13 ' CD2' ' A' ' 64' ' ' PHE . 53.8 t -90.89 89.65 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -73.86 112.1 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.56 119.01 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -48.94 -36.49 17.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -146.88 129.29 15.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 m -71.83 -14.3 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.78 14.23 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.65 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.4 -54.37 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.7 m -50.24 -52.98 31.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -44.11 -43.4 6.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.778 HG23 HD13 ' A' ' 16' ' ' LEU . 69.6 mt -62.38 -49.17 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.9 mttp -48.04 -41.58 26.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -64.98 -31.95 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 21.6 t80 -78.31 -13.5 59.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 48' ' ' LYS . 71.7 mt -86.21 -7.23 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.68 -22.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.546 HD22 ' HD2' ' A' ' 59' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.555 0.693 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD2' HD22 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.76 160.14 50.79 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.11 17.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -52.16 170.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.623 HD11 HD23 ' A' ' 20' ' ' LEU . 37.7 mt -93.1 95.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.94 126.05 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.662 ' CD2' HG13 ' A' ' 36' ' ' VAL . 44.6 p90 -154.01 -179.98 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -130.89 135.01 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.9 mt -107.48 135.8 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.0 m -95.63 107.9 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.94 111.32 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.46 81.76 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.7 mm -61.67 118.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.09 -45.04 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 pm0 -161.44 130.78 3.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' VAL . 54.1 Cg_endo -69.73 127.71 11.31 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.397 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 2.8 tppt? -45.85 90.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 73' ' ' PRO . 28.2 m -141.72 154.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -97.97 132.68 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.1 mt -129.47 115.52 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.75 119.09 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 94' ' ' LEU . 8.4 tp -110.43 105.37 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.9 116.31 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.9 p -110.64 127.68 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 m -127.13 99.0 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 87' ' ' TYR . 1.7 mtm -102.07 110.59 62.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.77 -165.88 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.441 ' CE1' HD12 ' A' ' 58' ' ' LEU . 1.3 m170 -82.94 -4.69 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 25.9 m -90.15 -58.58 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.654 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -37.06 150.14 0.15 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.678 0.751 . . . . 0.0 110.926 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.81 8.38 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.321 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 15.5 m-85 -34.08 -45.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 5.2 tt -100.87 150.52 22.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -70.54 113.83 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.3 pp -69.42 179.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.476 ' N ' HD12 ' A' ' 92' ' ' LEU . 6.6 tp60 -121.49 123.93 43.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 79' ' ' LEU . 8.3 mt -126.04 123.42 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.71 119.91 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.76 133.43 11.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -133.83 137.86 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 101' ' ' LEU . 44.1 t -138.43 145.41 40.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 m -76.12 -8.21 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -101.42 -46.08 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.739 HD21 ' CE1' ' A' ' 142' ' ' PHE . 15.1 mt -65.68 148.86 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -98.51 172.98 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.541 ' O ' HD23 ' A' ' 107' ' ' LEU . 29.4 ttm180 -52.94 -61.88 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -48.2 -52.3 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -54.53 -60.31 3.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -38.74 -57.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 103' ' ' ARG . 4.3 mm? -39.47 -47.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.78 -54.07 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.68 -61.22 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -48.22 -61.41 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HE3' HD12 ' A' ' 107' ' ' LEU . 34.9 mttt -43.38 -56.32 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.14 62.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 11.2 tp -68.83 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.92 0.39 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.3 p -37.91 -46.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -70.03 -43.39 71.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.475 ' CD2' ' CD1' ' A' ' 133' ' ' TRP . 42.8 t80 -57.02 -19.63 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' A' ' 126' ' ' CYS . 36.5 mm -97.24 -12.26 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.92 6.02 68.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.3 p -102.13 -14.15 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -68.9 160.23 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.71 153.31 37.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.68 3.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.61 -39.07 1.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.05 164.71 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.06 152.22 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' A' ' 117' ' ' ILE . 33.8 m -124.29 -28.05 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.5 p -63.48 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.48 -34.04 77.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.31 -45.54 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.24 -47.6 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.42 HD11 ' CD2' ' A' ' 26' ' ' LEU . 72.4 mt -48.41 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -55.41 -58.3 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.475 ' CD1' ' CD2' ' A' ' 116' ' ' TYR . 44.0 t90 -38.83 -44.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.664 HD11 HD13 ' A' ' 79' ' ' LEU . 6.7 mt -59.7 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' LEU . 59.2 mt-30 -36.22 -55.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.42 -46.83 78.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.45 54.3 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -131.5 -66.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -40.62 -54.38 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 t -44.68 -43.05 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.77 -36.74 83.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.739 ' CE1' HD21 ' A' ' 101' ' ' LEU . 18.1 m-85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.526 HG12 HD12 ' A' ' 16' ' ' LEU . 46.8 t -45.95 -25.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -44.05 -64.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -38.54 -65.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 12' ' ' VAL . 17.9 mt -49.28 -55.89 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.82 -51.18 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.8 mt -52.02 -35.82 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.9 mt-30 -62.33 -42.38 99.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.52 -30.28 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.3 mt -61.36 -55.62 29.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.762 ' HB3' HD13 ' A' ' 125' ' ' LEU . 2.8 pt-20 -56.83 -33.26 66.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 80.6 mmm -57.56 -56.83 16.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.24 -21.07 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.3 mtt -88.04 -28.81 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD11 ' OE1' ' A' ' 22' ' ' GLU . 11.0 mt -76.3 -40.86 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -55.62 -53.21 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -34.94 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -68.5 -32.22 72.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -118.11 80.79 15.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.41 93.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -38.9 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.85 -44.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.31 -65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.59 HG13 ' CD2' ' A' ' 64' ' ' PHE . 91.2 t -90.33 128.94 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -118.05 111.53 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.96 104.54 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -43.22 -35.92 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.65 109.22 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 m -58.17 -17.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -68.79 -14.0 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 -45.96 80.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.9 mt -66.47 -39.65 88.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -63.85 -56.95 11.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -44.09 -30.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' ARG . 69.4 mt -71.8 -62.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 51' ' ' LEU . 29.2 mttm -38.73 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' ILE . 93.2 mtt-85 -68.94 -53.58 20.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.3 t80 -50.66 -45.86 58.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 48' ' ' LYS . 14.7 mt -44.45 -32.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -30.13 20.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.434 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.828 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.828 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.73 158.92 55.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -45.68 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 19' ' ' GLN . 88.6 mt -95.97 100.17 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -123.19 124.18 42.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.6 p90 -149.56 -179.06 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 t -124.06 124.98 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.56 HD11 ' HE2' ' A' ' 64' ' ' PHE . 23.3 mt -107.32 125.53 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -89.75 106.82 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 131' ' ' ILE . 4.4 mm? -70.97 98.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -72.6 81.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.6 mm -66.88 109.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -47.15 -47.15 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.7 pt-20 -158.47 131.92 4.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.3 Cg_endo -69.74 128.33 12.36 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.364 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 tptt -48.16 94.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.405 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 32.8 m -140.59 176.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -119.52 133.21 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -131.8 110.46 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.86 108.59 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.829 HD11 HD22 ' A' ' 94' ' ' LEU . 5.6 tp -102.12 116.12 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.96 105.57 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.6 p -96.32 127.95 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 m -125.55 102.51 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.509 ' HE3' ' OE2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -97.14 114.91 65.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.825 ' CG ' HD23 ' A' ' 90' ' ' LEU . 54.3 Cg_endo -69.68 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -81.93 -29.84 32.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 1.5 m -77.03 -45.39 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.562 ' HA ' ' C ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -35.01 146.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.6 Cg_endo -69.82 -28.07 6.5 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.339 -0.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 22.2 m-85 -34.07 -40.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.825 HD23 ' CG ' ' A' ' 84' ' ' PRO . 6.0 tp -99.19 156.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' HG ' ' A' ' 90' ' ' LEU . . . -77.66 120.9 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.4 pp -76.92 -174.85 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.513 ' N ' HD12 ' A' ' 92' ' ' LEU . 13.0 tt0 -131.27 118.78 20.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.829 HD22 HD11 ' A' ' 79' ' ' LEU . 6.3 mt -117.99 147.14 43.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -144.66 114.8 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.37 121.42 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -145.35 138.55 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.411 ' HB3' HD12 ' A' ' 101' ' ' LEU . 33.3 t -128.64 163.04 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -63.51 -49.28 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.04 -56.28 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 98' ' ' SER . 39.5 mt -41.36 135.21 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.89 171.28 8.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -48.03 -66.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -44.35 -48.55 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -55.75 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' GLN . 37.3 mt-30 -36.91 -53.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.37 -50.91 64.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.86 -55.03 40.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.44 -57.16 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -57.17 -63.35 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -42.38 -51.11 5.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.43 90.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 130' ' ' ALA . 16.0 tp -63.43 -68.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LEU . 6.1 p -35.37 -58.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 t -60.81 -40.24 91.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 42.9 t80 -63.38 -21.33 66.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' A' ' 130' ' ' ALA . 40.6 mm -92.17 -14.04 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.85 17.51 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 14.53 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -99.81 152.76 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 147.42 65.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.62 17.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.44 ' CA ' ' HG2' ' A' ' 88' ' ' PRO . . . 117.43 -29.66 6.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -98.38 159.02 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' A' ' 22' ' ' GLU . 15.2 mt -69.26 152.96 44.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.3 m -128.2 -43.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 128' ' ' CYS . 10.3 p -49.4 -44.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.504 ' N ' HG13 ' A' ' 127' ' ' VAL . 16.9 m -53.51 -27.94 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.89 -39.13 18.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -55.17 -45.38 75.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 68' ' ' LEU . 96.1 mt -51.12 -59.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.16 -44.41 95.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.26 -36.47 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 138' ' ' SER . 4.7 mt -72.15 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -40.64 -55.77 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.61 -47.54 83.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -99.7 44.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 134' ' ' LEU . 13.8 t -106.29 -51.87 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -67.6 -43.99 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.047 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 21.0 m -41.58 -24.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 139' ' ' ALA . 37.4 m-85 -85.77 -51.99 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.405 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 27.3 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' VAL . 48.4 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.929 0.395 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.725 HG12 ' CD1' ' A' ' 16' ' ' LEU . 84.0 t -33.94 -42.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB3' HD23 ' A' ' 51' ' ' LEU . 37.9 mtmt -37.3 -49.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.52 -55.37 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 m -49.76 -52.15 33.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.725 ' CD1' HG12 ' A' ' 12' ' ' VAL . 23.1 mt -59.73 -43.37 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.97 -49.57 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.08 -25.58 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 69.4 mt-30 -82.09 -23.43 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.708 HD11 HG22 ' A' ' 47' ' ' ILE . 32.7 mt -81.52 -37.73 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -74.23 -42.56 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.631 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.5 pt-20 -56.65 -33.92 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 62.8 mmm -56.42 -26.45 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -82.83 -50.09 9.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.48 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 11.1 ptp -59.63 -26.73 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.08 -48.77 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 23' ' ' MET . 10.9 m-85 -55.04 -55.22 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -44.31 -44.59 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtp -60.34 -39.95 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 64.9 m-85 -105.13 96.48 11.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.72 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -53.91 105.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -59.95 129.54 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.95 -40.25 1.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -40.78 -56.16 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.931 HG13 ' CD2' ' A' ' 64' ' ' PHE . 94.1 t -83.09 103.4 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -87.2 103.18 15.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 64' ' ' PHE . 16.4 mt -87.07 104.37 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -45.31 -38.69 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -136.89 116.37 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.29 -32.85 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -84.48 28.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.11 -42.19 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.75 -50.82 31.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -47.29 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -42.85 -62.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.708 HG22 HD11 ' A' ' 20' ' ' LEU . 77.1 mt -40.01 -58.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -45.04 -44.19 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -41.92 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 53.0 t80 -55.57 -44.94 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 13' ' ' LYS . 37.5 mt -53.53 -41.71 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.14 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.477 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.86 158.87 55.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.4 30.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 175.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.1 mt -104.42 102.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -123.15 129.49 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' CD2' HG13 ' A' ' 36' ' ' VAL . 17.7 p90 -159.11 178.35 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' LEU . 58.6 t -121.58 131.09 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mt -106.51 124.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -82.61 109.02 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 131' ' ' ILE . 4.5 mm? -78.54 91.71 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -70.54 76.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.434 HD13 ' CD ' ' A' ' 135' ' ' GLN . 43.7 mm -60.96 97.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' ILE . 26.5 mt-10 -36.08 -60.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.8 tt0 -148.63 126.63 5.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.78 150.86 90.86 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.336 -0.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -72.12 100.71 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.814 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.4 m -144.54 149.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -98.12 121.99 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 142' ' ' PHE . 78.3 mt -121.02 101.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.5 103.79 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.836 HD11 HD22 ' A' ' 94' ' ' LEU . 11.7 tp -94.51 111.14 22.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HA ' HG22 ' A' ' 65' ' ' VAL . 61.4 mt-30 -87.5 95.98 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 64' ' ' PHE . 5.8 p -92.01 144.83 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.2 m -141.98 121.12 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.448 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 8.0 mtt -110.34 98.34 35.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HG3' HD22 ' A' ' 90' ' ' LEU . 53.7 Cg_endo -69.77 171.75 13.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -59.57 -14.07 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.498 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 19.2 m -86.65 -63.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -32.85 146.56 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.352 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -33.65 -48.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.498 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.0 tt -95.3 148.2 22.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.57 95.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.0 pp -47.0 174.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -119.15 125.86 50.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.836 HD22 HD11 ' A' ' 79' ' ' LEU . 11.3 mt -123.7 131.39 53.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -138.98 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -113.04 130.16 9.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -128.01 134.26 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 t -140.73 163.11 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -53.38 -53.55 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -55.59 -52.51 63.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.402 ' CB ' ' HG3' ' A' ' 106' ' ' GLN . 2.1 mt -75.34 121.14 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.85 -71.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -126.46 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -59.94 -44.25 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.75 -55.34 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' LEU . 30.4 mt-30 -52.03 -62.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLN . 19.6 mt -35.67 -55.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' CE1' ' A' ' 141' ' ' TYR . 83.3 mt -50.16 -47.68 54.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 141' ' ' TYR . 6.0 tp -67.52 -57.66 6.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.24 -63.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -39.36 -40.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.83 -47.69 24.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.67 -57.57 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 22.7 p -47.3 -50.21 22.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -41.16 86.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 27.1 t80 -58.02 -42.46 85.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 126' ' ' CYS . 46.0 mm -77.47 -38.02 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.67 -28.47 15.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.3 p -67.64 -44.95 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -38.22 145.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.6 158.16 33.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.48 5.11 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.68 -44.73 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.2 pt-20 -100.38 176.8 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.2 mt -79.71 165.39 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.46 ' HB3' HG23 ' A' ' 117' ' ' ILE . 75.2 m -133.82 -53.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 128' ' ' CYS . 12.7 p -44.26 -39.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.407 ' N ' HG13 ' A' ' 127' ' ' VAL . 22.1 p -56.5 -40.55 75.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -38.52 59.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.71 -58.14 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.48 HG23 ' CD1' ' A' ' 68' ' ' LEU . 31.5 mt -46.37 -58.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -54.85 -56.89 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 81.1 t90 -47.52 -59.35 3.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.4 mt -48.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.434 ' CD ' HD13 ' A' ' 70' ' ' ILE . 20.2 mm-40 -45.85 -47.8 15.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -43.34 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 133' ' ' TRP . 0.8 OUTLIER -117.65 43.65 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.4 t -90.45 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -54.72 -46.27 74.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 139' ' ' ALA . 66.6 m -34.09 -45.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 109' ' ' LEU . 99.7 m-85 -73.63 -63.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.814 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 47.5 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -41.12 -40.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 29.8 mtmt -38.79 -45.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.17 -65.52 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 49.8 m -43.74 -61.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.1 mt -47.67 -45.92 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.91 42.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 18' ' ' LEU . 7.0 mp -72.22 -29.45 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.637 ' HB3' HD12 ' A' ' 62' ' ' ILE . 16.0 mt-30 -64.05 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.506 HD11 ' CG2' ' A' ' 47' ' ' ILE . 64.1 mt -72.68 -33.2 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.07 -56.87 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' OE2' ' HE3' ' A' ' 83' ' ' MET . 2.8 pt-20 -47.43 -36.58 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 48.5 mmm -57.37 -35.41 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.58 -38.0 70.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtt -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 66' ' ' ILE . 20.1 mt -63.37 -56.38 16.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 23' ' ' MET . 15.3 m-85 -45.48 -54.16 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -58.9 -41.55 87.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtm -65.04 -23.01 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -121.4 81.16 38.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -20.81 34.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -85.04 121.75 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.0 132.1 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.06 -41.84 1.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -61.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.78 HG13 ' CD2' ' A' ' 64' ' ' PHE . 22.8 t -93.6 115.59 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -110.6 98.0 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 44' ' ' LEU . 10.7 mt -82.8 131.19 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.4 -22.03 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.888 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 3.9 p-10 -164.68 124.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.433 HG23 ' ND2' ' A' ' 42' ' ' ASN . 33.4 m -66.42 -20.74 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.433 ' ND2' HG23 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -81.35 -17.13 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . . . -56.11 -31.12 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 38' ' ' LEU . 7.6 mt -83.34 -36.74 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ILE . 66.7 m -69.05 -63.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . 75.5 m-20 -36.3 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CG2' HD11 ' A' ' 20' ' ' LEU . 76.4 mt -68.96 -61.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG3' HD13 ' A' ' 20' ' ' LEU . 64.8 mttt -41.46 -30.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.51 -42.84 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 45.1 t80 -57.51 -26.75 61.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.8 -52.09 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.44 -13.15 50.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.652 0.739 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.8 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.7 159.46 53.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.363 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 128.73 16.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -53.5 169.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 19' ' ' GLN . 71.4 mt -94.25 108.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.86 137.79 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.78 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -165.52 179.69 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.58 125.7 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.66 ' CD1' HD22 ' A' ' 26' ' ' LEU . 14.3 mt -107.06 129.96 59.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.7 m -87.64 135.39 33.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -101.33 93.68 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -68.93 75.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.7 mm -57.79 107.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -49.89 -54.95 16.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.446 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 4.8 tt0 -145.76 123.46 6.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 148.58 86.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.371 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -66.63 80.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -126.42 171.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -115.44 143.25 45.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.4 mt -145.52 132.62 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.65 128.07 44.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.913 HD11 HD22 ' A' ' 94' ' ' LEU . 8.9 tp -114.86 116.72 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.552 ' NE2' HH21 ' A' ' 97' ' ' ARG . 21.0 mt-30 -88.27 105.28 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG21 ' CG2' ' A' ' 127' ' ' VAL . 1.9 p -100.35 136.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.3 m -139.94 108.0 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.522 ' HE3' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -112.08 117.09 48.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.843 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.63 ' HG3' HD21 ' A' ' 90' ' ' LEU . 54.0 Cg_endo -69.83 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.551 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -84.08 0.39 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.2 t -98.37 -58.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.59 150.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.698 0.761 . . . . 0.0 110.889 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.1 Cg_endo -69.75 -1.44 6.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.401 -0.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.431 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 4.5 m-30 -39.19 -52.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 90' ' ' LEU . 2.4 pp -103.29 -174.06 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.492 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -96.98 97.23 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.1 pp -46.96 172.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -111.22 133.11 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.913 HD22 HD11 ' A' ' 79' ' ' LEU . 6.7 mt -129.03 144.59 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.24 106.02 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.07 125.48 8.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.552 HH21 ' NE2' ' A' ' 80' ' ' GLN . 75.2 mtm180 -130.86 134.64 46.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -140.67 150.54 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.1 p -63.95 -41.45 97.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -67.33 -49.43 64.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.9 135.85 49.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.82 173.62 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -54.61 -55.93 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -53.89 -59.44 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -45.36 -50.14 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -50.47 -59.61 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.8 mt -39.65 -45.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.03 -44.6 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.525 HD12 ' CE1' ' A' ' 141' ' ' TYR . 6.0 tp -65.39 -57.3 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -60.87 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -42.38 -49.85 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.25 -35.96 91.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 94' ' ' LEU . 10.3 tp -71.6 -50.92 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.5 p -49.98 -47.58 52.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -60.01 -45.16 93.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.512 ' CG ' ' CD1' ' A' ' 133' ' ' TRP . 53.2 t80 -58.56 -38.78 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' A' ' 130' ' ' ALA . 29.2 mm -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.6 -20.71 56.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.8 p -73.92 -39.24 63.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -47.13 156.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -108.03 158.12 34.42 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.7 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.42 -33.74 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 9.0 pt-20 -111.29 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 22' ' ' GLU . 38.4 mt -83.79 152.13 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.7 -48.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 81' ' ' VAL . 13.1 p -45.54 -33.82 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 45.5 t -59.18 -41.29 88.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.51 -49.09 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.608 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -39.98 -44.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 71.4 mt -51.83 -64.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -57.69 -54.64 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.512 ' CD1' ' CG ' ' A' ' 116' ' ' TYR . 69.7 t90 -41.9 -51.93 4.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 135' ' ' GLN . 3.3 mt -54.27 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 134' ' ' LEU . 47.5 mt-30 -35.03 -61.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.18 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -89.54 59.85 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -128.64 -54.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.13 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 t -41.76 -45.64 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.525 ' CE1' HD12 ' A' ' 109' ' ' LEU . 52.3 m-85 -72.21 -62.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 11.3 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 42.0 t -36.21 -39.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' VAL . 72.3 mttt -35.8 -66.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -49.23 -51.29 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -49.89 -57.64 7.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 47' ' ' ILE . 66.8 mt -55.26 -52.01 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -40.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mp -72.96 -37.1 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.785 ' HB3' HD12 ' A' ' 62' ' ' ILE . 67.5 mt-30 -55.04 -40.74 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.57 -29.65 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.3 mt -62.18 -55.63 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.658 ' HB3' HD13 ' A' ' 125' ' ' LEU . 2.6 pp20? -60.78 -36.05 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.53 ' HA ' HD12 ' A' ' 26' ' ' LEU . 65.5 mmm -51.27 -50.74 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.95 -48.84 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtt -58.72 -36.5 74.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 23' ' ' MET . 16.7 mt -62.37 -48.01 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -54.97 -51.13 67.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -61.11 -42.39 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.7 mtp -62.52 -29.7 70.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -118.38 82.25 18.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.55 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -59.99 95.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -41.78 133.69 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.74 -45.29 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.97 -69.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 64' ' ' PHE . 61.3 t -78.05 126.87 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.26 96.75 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -53.41 -15.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -171.53 111.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.31 -11.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -76.07 -11.22 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.89 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.2 mt -83.38 -36.59 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -65.98 -63.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -37.33 -47.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.658 HG23 HD13 ' A' ' 16' ' ' LEU . 81.0 mt -54.65 -51.05 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -51.15 -19.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 mmm-85 -83.34 -34.22 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.88 -42.8 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.88 -28.39 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -30.14 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.739 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.739 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.73 159.12 54.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -55.91 179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 19' ' ' GLN . 91.8 mt -105.52 97.01 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -123.13 133.98 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.755 ' O ' HG12 ' A' ' 81' ' ' VAL . 30.8 p90 -163.1 177.98 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.06 129.61 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.485 HD11 ' HE2' ' A' ' 64' ' ' PHE . 18.0 mt -107.32 124.96 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.522 HG23 ' HG3' ' A' ' 76' ' ' LYS . 98.7 m -84.36 101.61 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 68' ' ' LEU . 3.7 mm? -66.05 100.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 75.43 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.64 130.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.2 -42.82 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tt0 -160.94 123.9 1.85 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.77 140.63 61.71 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.353 0.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.22 84.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.99 168.03 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HG3' HG23 ' A' ' 67' ' ' THR . 14.3 ttpp -110.03 142.81 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.8 mt -143.79 114.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -80.48 116.14 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.961 HD11 HD22 ' A' ' 94' ' ' LEU . 11.2 tp -104.58 110.61 22.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -82.82 91.67 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 64' ' ' PHE . 9.7 p -85.03 147.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -141.5 108.83 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.677 ' HE1' HG11 ' A' ' 127' ' ' VAL . 19.6 mtm -107.45 106.36 58.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.457 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 53.8 Cg_endo -69.78 -168.89 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -80.21 -22.8 41.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 90' ' ' LEU . 55.7 m -79.1 -52.74 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -32.93 146.24 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.685 0.755 . . . . 0.0 110.911 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.72 -24.8 8.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.342 -0.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 88' ' ' PRO . 7.3 m-85 -31.76 -41.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 91' ' ' ALA . 6.4 tt -98.55 160.87 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.768 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -86.3 96.87 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 87' ' ' TYR . 3.9 pp -46.44 170.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.6 115.85 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.961 HD22 HD11 ' A' ' 79' ' ' LEU . 13.9 mt -111.72 140.89 45.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -150.05 111.8 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.33 142.15 15.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -147.46 134.5 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 m -140.98 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 m -78.23 -53.78 6.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -54.11 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.08 157.57 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -109.04 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.02 -50.08 73.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -56.96 -58.49 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -52.16 -58.8 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -39.5 -52.89 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.8 mt -49.1 -41.05 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.52 -44.74 81.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.37 -54.35 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -57.36 -63.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -41.24 -48.71 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.0 -44.36 98.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.564 HD21 HD13 ' A' ' 94' ' ' LEU . 13.9 tp -68.82 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.8 p -37.13 -51.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 m -62.16 -46.6 88.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -54.63 -35.07 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 130' ' ' ALA . 13.3 mm -81.78 -30.35 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.51 -6.1 53.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 74.2 p -93.41 -32.56 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -42.85 159.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 2.8 t70 -90.76 140.85 26.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 121' ' ' ASP . 53.4 Cg_endo -69.77 96.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 156.62 -22.68 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -112.07 174.48 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 22' ' ' GLU . 61.2 mt -78.27 147.98 34.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . 0.423 ' HB3' HG23 ' A' ' 117' ' ' ILE . 3.7 m -124.43 -40.92 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.677 HG11 ' HE1' ' A' ' 83' ' ' MET . 13.3 p -55.15 -29.3 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.37 -28.36 69.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.52 -48.5 7.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.539 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -41.28 -34.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.37 -56.13 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.97 -52.84 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -43.73 -46.84 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' GLN . 11.1 mt -63.59 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' LEU . 42.7 mt-30 -36.83 -48.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.34 -51.97 26.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -89.63 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.3 t -109.41 -50.39 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.23 -48.63 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 p -38.94 -40.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -74.71 -55.45 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t -38.67 -37.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -47.2 -69.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HD23 ' A' ' 18' ' ' LEU . 20.2 mt-10 -45.96 -48.43 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 m -50.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.417 HD13 HG23 ' A' ' 47' ' ' ILE . 59.8 mt -39.5 -46.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.484 HE22 HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -46.48 -53.78 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 3.3 mm? -57.87 -29.3 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.774 ' HB3' HD12 ' A' ' 62' ' ' ILE . 60.8 mt-30 -75.11 -14.94 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.1 mt -91.91 -52.53 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.08 -30.97 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.8 pp20? -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mmm -69.12 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 26.4 mtm -79.65 -28.53 40.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -48.3 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -48.56 -54.99 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -52.43 -38.45 59.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.0 mtm -68.3 -33.7 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.81 80.58 14.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -35.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -62.93 95.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -42.91 152.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.99 -42.88 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -68.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.857 HG13 ' CD2' ' A' ' 64' ' ' PHE . 46.8 t -81.02 106.55 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -95.34 104.67 16.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -93.72 122.06 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -52.16 -36.79 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.05 127.08 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.43 -13.46 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.44 2.06 56.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.25 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.5 -45.57 62.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ASN . 95.2 m -59.89 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' THR . 90.8 m-20 -35.25 -45.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.7 mt -58.02 -58.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -38.96 -34.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -72.85 -44.93 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.8 t80 -58.93 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 51' ' ' LEU . 12.7 mt -64.22 -33.49 75.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 52' ' ' GLU . 2.4 tp10 -74.63 -28.9 61.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.772 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.772 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.69 159.32 53.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 111.9 2.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.52 167.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 19' ' ' GLN . 81.3 mt -94.14 97.93 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -120.04 127.73 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.857 ' CD2' HG13 ' A' ' 36' ' ' VAL . 9.2 p90 -152.94 -178.66 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -125.76 129.56 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.537 HD11 ' HE2' ' A' ' 64' ' ' PHE . 58.9 mt -109.28 127.85 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -86.43 111.18 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.18 98.32 8.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.28 69.62 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 70' ' ' ILE . 5.5 mm -47.94 114.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -54.67 -59.17 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 15.0 tt0 -141.47 121.93 8.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.79 157.76 91.79 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -77.84 94.98 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.93 164.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -109.97 131.65 54.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.4 mt -136.01 117.43 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.28 117.86 20.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.687 HD11 HD22 ' A' ' 94' ' ' LEU . 10.1 tp -107.67 107.9 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -83.59 109.5 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 HD21 ' A' ' 94' ' ' LEU . 2.2 p -104.02 129.36 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -127.93 106.85 9.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.08 122.01 55.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.643 ' HG3' HD12 ' A' ' 90' ' ' LEU . 54.4 Cg_endo -69.75 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -87.87 -28.42 21.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.6 m -77.09 -45.43 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.558 ' HA ' ' C ' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -32.32 144.55 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.693 0.759 . . . . 0.0 110.903 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.72 5.49 3.64 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 -1.796 . . . . 0.0 112.365 -0.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.516 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 79.5 m-85 -80.64 25.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.905 HD13 ' H ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -148.11 161.23 41.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.905 ' H ' HD13 ' A' ' 90' ' ' LEU . . . -87.27 76.43 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.55 HD11 HD12 ' A' ' 94' ' ' LEU . 4.2 pp -41.88 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -113.4 124.08 51.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 79' ' ' LEU . 5.6 mt -122.25 122.76 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -130.92 113.12 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.35 116.94 5.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -122.27 134.31 54.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -140.11 139.19 35.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.0 p -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.59 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.827 HD22 ' HB3' ' A' ' 105' ' ' GLN . 81.2 mt -57.1 136.42 56.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 103' ' ' ARG . 30.2 m-20 -92.42 163.85 13.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASP . 22.2 ttm180 -34.34 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -51.93 -56.6 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.827 ' HB3' HD22 ' A' ' 101' ' ' LEU . 14.4 mm100 -55.04 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -37.99 -43.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -65.01 -53.97 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.99 -46.33 71.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.08 -57.5 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -52.01 -56.08 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -40.79 -45.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.95 -46.53 72.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 94' ' ' LEU . 11.1 tp -65.07 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 p -37.82 -54.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 m -68.12 -35.67 78.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 50.7 t80 -60.87 -22.64 64.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.495 HD11 ' HB2' ' A' ' 130' ' ' ALA . 23.3 mm -93.2 -34.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.89 -15.42 27.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -77.99 -45.79 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.149 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -42.07 141.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.3 159.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 131.35 21.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.68 -46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -95.3 160.13 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -68.4 155.99 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 69.3 m -125.81 -45.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 128' ' ' CYS . 11.2 p -50.64 -41.54 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.453 ' N ' HG13 ' A' ' 127' ' ' VAL . 20.8 t -56.74 -25.62 55.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.01 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -48.46 -53.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.9 mt -46.87 -62.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -53.97 -47.5 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 90.6 t90 -51.73 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.529 HD11 HD13 ' A' ' 79' ' ' LEU . 10.3 mt -40.97 -61.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.3 mm-40 -35.66 -49.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.1 -46.59 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -89.73 46.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -117.52 -52.57 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -60.46 -49.06 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' ALA . 5.1 t -37.13 -36.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -86.72 -47.22 9.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.548 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 23.5 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -153.43 147.31 25.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -112.65 172.56 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.83 -52.43 12.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 m -124.86 165.11 18.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -175.0 131.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.826 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.47 -126.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 mtp -117.03 123.75 47.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -171.79 163.49 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.07 149.14 52.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 12' ' ' VAL . 5.9 t -85.77 125.37 33.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.1 t -37.0 -41.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' VAL . 18.2 mtpt -36.01 -60.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -53.71 -59.21 4.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.0 m -40.6 -62.67 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.82 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD22 HD13 ' A' ' 47' ' ' ILE . 50.7 mt -49.51 -42.13 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -47.91 75.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 21' ' ' LEU . 10.0 mp -70.53 -18.68 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -82.36 -19.59 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD23 HD11 ' A' ' 62' ' ' ILE . 87.6 mt -93.03 -37.59 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.55 -41.13 93.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.497 ' OE1' HG11 ' A' ' 127' ' ' VAL . 7.1 pt-20 -59.08 -24.85 63.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.4 mmm -62.33 -44.24 96.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.44 -32.29 73.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtm -74.98 -43.25 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.84 -44.06 97.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -59.24 -36.14 74.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.9 t -67.89 -46.07 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.9 mtm -68.68 -10.92 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CD1' ' OE1' ' A' ' 35' ' ' GLU . 57.6 m-85 -126.74 89.14 52.85 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.75 -31.59 20.28 Favored 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.707 2.271 . . . . 0.0 112.36 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -68.79 136.81 53.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.61 -28.99 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.96 40.88 3.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.585 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 9.8 mm-40 -112.2 -74.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 64' ' ' PHE . 66.4 t -83.39 112.59 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -103.05 102.53 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt -89.44 120.62 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -44.35 -33.65 1.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -158.47 123.62 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 m -63.54 -16.28 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -91.4 5.42 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.84 -35.55 24.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.961 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.2 m -63.8 -61.87 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -38.77 -36.88 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD13 HD22 ' A' ' 16' ' ' LEU . 47.0 mt -68.83 -59.63 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -42.17 -28.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -75.26 -39.23 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.3 OUTLIER -62.13 -32.07 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.13 -32.53 73.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -72.05 -30.0 64.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.53 -6.64 59.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.8 t -66.88 -36.13 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.4 ttt85 -101.76 95.16 6.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -62.45 -30.46 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 127.15 31.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -63.72 120.89 67.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.956 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.07 47.36 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.296 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 130.98 20.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -56.36 170.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD11 HD23 ' A' ' 20' ' ' LEU . 67.2 mt -94.99 93.63 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HG3' HG23 ' A' ' 82' ' ' THR . 14.0 tt0 -113.09 132.26 55.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' HE2' HD11 ' A' ' 66' ' ' ILE . 3.1 p90 -156.85 175.51 13.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -121.97 125.07 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.599 HD11 ' HE2' ' A' ' 64' ' ' PHE . 43.0 mt -107.0 129.46 60.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.634 HG21 ' HD2' ' A' ' 76' ' ' LYS . 94.8 m -88.83 127.14 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.02 102.1 14.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.44 ' NE2' ' C ' ' A' ' 69' ' ' GLN . 0.1 OUTLIER -78.6 73.52 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.0 mm -59.44 121.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.49 -37.94 80.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.459 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.3 tt0 -164.2 124.74 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.2 Cg_endo -69.82 134.6 30.25 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.288 0.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -52.57 90.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 73' ' ' PRO . 32.1 m -139.91 173.81 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.634 ' HD2' HG21 ' A' ' 67' ' ' THR . 18.6 ttpt -124.46 130.16 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.85 106.65 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -66.41 118.09 9.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.773 HD11 HD22 ' A' ' 94' ' ' LEU . 6.3 tp -109.82 111.45 22.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -90.04 102.8 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.1 p -96.83 136.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.43 HG23 ' HG3' ' A' ' 63' ' ' GLU . 6.1 m -136.15 108.56 7.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.415 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.2 OUTLIER -105.29 101.83 33.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 0.0 110.901 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.3 Cg_endo -69.78 -171.76 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.485 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -76.24 3.78 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.475 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 53.9 m -102.34 -62.94 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -36.64 150.01 0.14 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.752 . . . . 0.0 110.898 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.79 -24.33 8.64 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.334 -0.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.434 ' C ' ' O ' ' A' ' 88' ' ' PRO . 9.0 m-85 -34.52 -44.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 4.0 tt -100.62 154.35 18.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -72.83 100.96 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.068 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 92' ' ' LEU . 3.4 pp -54.63 175.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.447 ' N ' HD12 ' A' ' 92' ' ' LEU . 5.9 tp60 -121.74 125.33 46.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 79' ' ' LEU . 5.6 mt -122.66 154.91 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -139.33 111.34 7.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.07 111.75 3.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 97' ' ' ARG . 0.7 OUTLIER -144.17 144.47 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.17 148.42 41.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 p -48.7 -45.02 38.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.78 -61.93 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.6 mt -39.65 155.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -113.37 177.6 4.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.9 ttp85 -59.12 -58.01 10.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -56.75 -47.25 80.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -54.92 -61.1 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 107' ' ' LEU . 26.0 mt-30 -39.64 -61.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 106' ' ' GLN . 14.2 mt -38.15 -55.03 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.4 mt -53.85 -50.94 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.946 HD12 ' CD2' ' A' ' 141' ' ' TYR . 4.8 tp -58.4 -65.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.964 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -44.44 -55.86 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -49.87 -56.88 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.75 -33.25 42.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 114' ' ' THR . 6.1 tp -76.1 -63.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.0 p -35.1 -49.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.867 ' O ' HG23 ' A' ' 119' ' ' THR . 73.9 m -61.26 -46.72 89.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 113' ' ' LEU . 62.3 t80 -55.12 -43.68 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.543 HG23 ' HB3' ' A' ' 126' ' ' CYS . 32.3 mm -75.5 -23.6 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.64 10.83 58.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.867 HG23 ' O ' ' A' ' 115' ' ' SER . 10.4 p -115.23 17.6 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -101.41 158.61 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.93 144.92 37.42 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 94.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 166.28 -33.52 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 4.3 pt-20 -105.76 169.87 8.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.5 mt -76.75 155.34 33.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.543 ' HB3' HG23 ' A' ' 117' ' ' ILE . 4.3 m -125.6 -35.56 2.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.497 HG11 ' OE1' ' A' ' 22' ' ' GLU . 8.7 p -57.45 -28.12 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 15.1 m -69.17 -23.97 64.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -93.28 -29.35 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -61.22 -35.79 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.95 -59.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.91 -45.56 92.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -49.43 -56.45 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.5 mt -53.44 -56.87 13.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -46.31 -62.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -41.08 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -111.26 50.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.9 t -105.95 -43.55 4.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.33 -37.34 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.153 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.3 t -43.64 -37.4 2.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.946 ' CD2' HD12 ' A' ' 109' ' ' LEU . 91.0 m-85 -77.68 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -46.97 -52.35 14.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 97.9 mt -38.89 106.41 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -141.48 164.85 29.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -98.63 95.37 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -141.21 125.91 17.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 147' ' ' LEU . 1.3 tm? -77.83 97.28 5.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 30.5 m -116.91 -27.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 59.5 p -65.59 135.87 55.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -173.86 154.22 19.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 165.78 29.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.5 m -123.47 162.72 22.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 11.8 m -134.23 120.96 20.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.7 p -166.83 146.05 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.858 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -94.28 7.96 43.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.63 -127.29 44.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -98.31 160.4 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -124.44 168.17 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.91 67.56 1.26 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.4 mtp -132.68 173.86 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.328 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -82.18 141.75 32.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 146.47 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 15.4 t -81.08 129.91 34.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.4 t -35.56 -41.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 12' ' ' VAL . 31.7 mtmt -36.3 -52.05 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -59.37 -49.86 76.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.2 m -54.18 -51.78 63.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.483 HD22 HG12 ' A' ' 47' ' ' ILE . 19.2 mt -58.89 -35.05 72.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -47.46 85.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 18' ' ' LEU . 2.3 mm? -60.86 -25.27 66.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.76 ' HB3' HD12 ' A' ' 62' ' ' ILE . 46.9 mt-30 -81.21 -14.63 57.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.64 HD11 HG22 ' A' ' 47' ' ' ILE . 39.1 mt -91.1 -55.46 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp -53.53 -30.81 43.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' HG2' ' C ' ' A' ' 19' ' ' GLN . 7.9 pt-20 -67.9 -29.78 68.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 48.8 mmm -64.5 -48.26 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -63.82 -23.33 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 34.9 mtm -88.28 -35.43 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.64 -45.39 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -52.88 -44.6 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.0 t -63.25 -46.0 88.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.6 mtm -60.42 -20.0 58.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.649 ' CE2' HD13 ' A' ' 66' ' ' ILE . 74.2 m-85 -117.51 89.77 33.17 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.8 37.14 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.343 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.43 -20.29 53.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 42.66 52.52 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -48.36 -45.53 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 66.2 t -71.57 91.24 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -85.7 110.41 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 39' ' ' GLU . 11.7 mt -99.43 108.73 21.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 38' ' ' LEU . 16.7 pt-20 -36.57 -46.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.75 129.87 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.12 -16.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 46' ' ' ASN . 35.3 m-80 -88.31 1.92 53.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.17 -37.48 81.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mt -76.75 -43.62 36.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.9 m -61.45 -48.16 82.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.419 HD22 ' CD ' ' A' ' 60' ' ' PRO . 36.2 m-20 -51.33 -48.68 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.64 HG22 HD11 ' A' ' 20' ' ' LEU . 59.0 mt -48.85 -57.15 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -44.73 -40.53 6.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -59.44 -37.32 77.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -59.68 -48.7 80.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.41 -34.15 10.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -30.25 62.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 84.4 -15.9 37.71 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.6 t -59.87 -14.22 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.772 0.32 . . . . 0.0 111.167 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -124.07 97.36 5.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -60.24 -33.08 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 118.57 4.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.666 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -65.98 124.01 86.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.953 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.666 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.8 Cg_endo -69.78 155.68 65.24 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.612 2.208 . . . . 0.0 112.369 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.419 ' CD ' HD22 ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.75 127.88 15.23 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -52.26 156.97 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.76 HD12 ' HB3' ' A' ' 19' ' ' GLN . 72.6 mt -82.99 102.52 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.541 ' CG ' HG23 ' A' ' 82' ' ' THR . 5.4 mt-10 -120.91 133.75 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CZ ' HG11 ' A' ' 81' ' ' VAL . 13.1 p90 -162.07 -179.69 7.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.783 HG11 ' OD2' ' A' ' 78' ' ' ASP . 88.4 t -131.31 128.46 61.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.649 HD13 ' CE2' ' A' ' 30' ' ' PHE . 8.7 mt -106.55 125.02 62.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.442 ' CG2' ' HG3' ' A' ' 76' ' ' LYS . 67.0 m -83.96 106.37 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 68' ' ' LEU . 3.3 mm? -77.06 93.62 3.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.61 80.78 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 70' ' ' ILE . 4.8 mm -61.67 116.37 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 73' ' ' PRO . 33.3 mm-40 -63.94 -64.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 73' ' ' PRO . 2.0 tp10 -122.22 110.53 32.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 -175.9 11.7 Favored 'Cis proline' 0 C--O 1.232 0.182 0 C-N-CA 122.638 -1.817 . . . . 0.0 112.368 -0.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.7 tttt -102.17 94.25 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 142' ' ' PHE . 13.7 m -144.04 -177.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' HG3' ' CG2' ' A' ' 67' ' ' THR . 15.0 ttpp -127.41 139.42 52.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -137.79 108.98 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.783 ' OD2' HG11 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -74.08 112.02 9.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.011 HD11 HD22 ' A' ' 94' ' ' LEU . 13.3 tp -101.91 120.92 41.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.478 ' HA ' HG22 ' A' ' 65' ' ' VAL . 7.4 mt-30 -95.38 111.42 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.5 p -103.13 145.01 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.541 HG23 ' CG ' ' A' ' 63' ' ' GLU . 36.9 m -139.81 108.32 5.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.416 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -108.23 98.96 29.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.1 Cg_endo -69.83 -169.84 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.578 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -77.05 -8.73 57.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.482 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 41.9 m -89.36 -63.18 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.78 148.57 0.15 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.693 0.758 . . . . 0.0 110.924 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.81 -24.35 8.63 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.326 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 88' ' ' PRO . 6.8 m-85 -34.3 -43.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.5 tt -102.04 154.64 18.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -72.58 107.03 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.2 pp -61.32 178.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.463 ' N ' HD12 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -123.29 138.27 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.011 HD22 HD11 ' A' ' 79' ' ' LEU . 7.0 mt -137.82 144.95 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -144.35 122.71 12.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.24 128.88 8.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -137.77 142.18 40.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 45.3 t -140.61 123.7 16.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.6 t -43.66 -41.24 4.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -66.58 -45.84 77.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.777 HD21 ' CE1' ' A' ' 142' ' ' PHE . 24.0 mt -56.48 179.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.4 -179.13 5.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -68.25 -51.43 45.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -57.01 -50.72 71.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 26.0 mt-30 -62.4 -53.79 49.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -43.26 -55.18 4.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 107' ' ' LEU . 8.3 mt -47.47 -64.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.5 mt -45.2 -47.0 12.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.09 -69.89 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -47.29 -58.83 3.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -41.32 -54.3 3.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.97 -33.69 75.18 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.6 tp -72.22 -55.92 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 38.2 p -38.42 -57.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 119' ' ' THR . 14.1 m -57.99 -49.24 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.533 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 60.3 t80 -53.57 -35.62 60.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 47.6 mm -83.61 -24.8 7.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.66 -9.07 86.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 115' ' ' SER . 33.6 p -78.58 -40.85 33.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -45.22 158.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.71 158.75 31.57 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 116.37 4.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.52 -32.5 2.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.442 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 10.1 pt-20 -103.61 168.54 9.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.63 152.89 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.74 -37.48 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 128' ' ' CYS . 14.9 p -52.09 -44.39 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 127' ' ' VAL . 42.1 t -54.39 -28.94 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.34 10.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.85 -39.72 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.91 -74.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.45 -49.99 12.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.533 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 75.6 t90 -48.41 -51.61 25.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.88 -55.09 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -46.65 -49.69 18.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -73.74 -27.43 61.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -111.6 50.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.7 t -117.03 -52.78 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 143' ' ' LEU . . . -54.46 -53.19 57.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.483 ' O ' HD12 ' A' ' 143' ' ' LEU . 49.0 m -35.67 -49.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.858 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.489 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 67.1 m-85 -77.23 -48.2 18.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.777 ' CE1' HD21 ' A' ' 101' ' ' LEU . 15.1 m-85 -65.9 -68.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 139' ' ' ALA . 10.6 mt 41.47 53.19 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.62 ' HB3' HD23 ' A' ' 147' ' ' LEU . 19.9 m-20 -67.2 122.81 18.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 146' ' ' LYS . 6.8 tpt180 -77.48 124.73 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 145' ' ' ARG . 3.4 mmmp? 34.56 45.96 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 144' ' ' ASN . 0.8 OUTLIER -58.96 107.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 85.9 t -76.67 88.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.472 ' HB2' ' CD1' ' A' ' 147' ' ' LEU . 8.5 t -146.73 133.59 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -134.78 171.48 22.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.79 5.89 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.271 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 t -99.76 40.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 54.3 p -67.21 111.43 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -49.92 -49.6 49.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.88 0.371 . . . . 0.0 110.813 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -139.5 116.14 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.09 142.08 3.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -144.89 160.99 40.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -163.2 173.96 12.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.87 110.02 2.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ptt? -73.06 -44.98 59.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.332 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -94.27 92.98 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.64 167.05 15.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' VAL . 34.0 t -106.33 136.21 46.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 16' ' ' LEU . 46.7 t -37.27 -44.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -38.19 -69.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -54.24 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -52.91 -66.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD12 HG12 ' A' ' 12' ' ' VAL . 13.3 mt -43.02 -49.27 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.07 -45.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -69.78 -42.89 73.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.88 ' HB3' HD12 ' A' ' 62' ' ' ILE . 3.5 mp0 -52.75 -17.9 1.57 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.5 mt -91.5 -57.78 2.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -57.08 -29.71 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 21' ' ' LEU . 3.8 pt-20 -66.23 -30.13 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.493 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -58.18 -33.62 69.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.403 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 6.4 mtt -71.56 -38.54 70.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.629 HD22 HD11 ' A' ' 66' ' ' ILE . 13.8 mt -71.46 -45.17 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.09 -49.42 75.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 t -50.95 -38.36 50.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.3 mtm -72.64 -34.31 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' HZ ' HD13 ' A' ' 131' ' ' ILE . 23.5 m-85 -116.22 75.61 6.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -21.31 33.74 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.52 110.31 14.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -60.36 105.81 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.35 -17.78 0.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -81.75 -57.74 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.68 HG13 ' CD2' ' A' ' 64' ' ' PHE . 52.3 t -93.6 118.41 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 112.43 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.7 mt -96.19 108.32 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -45.29 -23.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -167.61 114.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.53 -13.43 6.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 57.9 m-80 -74.03 -12.82 60.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.13 -29.24 63.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.3 mt -86.33 -39.58 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' ASN . 94.5 m -64.9 -60.93 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 77.0 m-20 -36.43 -38.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.447 ' CG2' HD22 ' A' ' 16' ' ' LEU . 54.8 mt -64.1 -60.64 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' ILE . 52.8 mttt -37.33 -33.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.774 ' O ' HG22 ' A' ' 54' ' ' THR . 54.0 mtp180 -71.06 -49.32 45.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 1.5 t80 -65.95 -46.5 77.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mt -41.62 -32.03 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.77 -30.23 18.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 107.07 23.1 7.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 49' ' ' ARG . 14.8 t -100.85 24.36 9.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.51 132.11 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -82.85 -23.8 33.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.13 144.92 47.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -57.42 117.44 18.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.931 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 166.22 28.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.85 32.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.362 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HE3' ' CG2' ' A' ' 82' ' ' THR . 12.9 pttm -93.75 -176.99 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.88 HD12 ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.53 93.33 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.07 124.54 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD2' HG13 ' A' ' 36' ' ' VAL . 23.3 p90 -152.89 178.97 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.863 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.05 131.05 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.629 HD11 HD22 ' A' ' 26' ' ' LEU . 43.1 mt -106.84 129.98 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.544 HG23 ' HG3' ' A' ' 76' ' ' LYS . 98.9 m -86.76 116.68 25.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.523 HD11 HG23 ' A' ' 131' ' ' ILE . 4.2 mm? -92.23 98.47 11.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.02 74.9 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' GLU . 42.1 mm -45.58 104.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ILE . 12.5 mt-10 -37.05 -56.08 0.91 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.6 tt0 -149.74 125.76 5.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.72 157.53 91.84 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.361 -0.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -72.95 97.05 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.6 m -140.04 174.54 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HG3' HG23 ' A' ' 67' ' ' THR . 7.7 ttpm? -120.47 133.53 55.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.6 mt -133.94 115.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.06 113.26 17.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.9 HD11 HD22 ' A' ' 94' ' ' LEU . 14.6 tp -99.41 110.0 22.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -84.39 103.2 13.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -98.73 141.7 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.457 ' CG2' ' HE3' ' A' ' 61' ' ' LYS . 10.2 m -141.15 108.25 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.435 ' HE3' ' OE1' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -104.15 103.69 39.73 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.603 0.716 . . . . 0.0 110.894 179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.28 46.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.517 ' CE1' HD12 ' A' ' 58' ' ' LEU . 3.0 m170 -49.42 -18.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' TYR . 50.1 m -83.02 -56.31 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -36.46 148.57 0.17 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.77 8.4 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.382 -0.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.481 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 33.8 m-85 -33.33 -42.85 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.977 HD23 ' N ' ' A' ' 91' ' ' ALA . 8.1 tt -99.92 156.97 16.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.977 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -77.61 105.34 8.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.5 pp -56.35 -179.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -126.29 115.3 19.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.9 HD22 HD11 ' A' ' 79' ' ' LEU . 7.8 mt -113.21 148.28 35.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -151.29 108.88 3.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -105.48 132.03 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.535 ' CB ' ' NE2' ' A' ' 106' ' ' GLN . 6.7 ptm180 -145.83 138.08 25.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.87 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.7 p -139.27 146.17 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -49.17 -42.39 39.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.0 mt -62.83 145.34 55.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -102.69 172.45 6.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -51.75 -63.4 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -51.05 -58.33 6.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 25.5 mm100 -46.24 -53.84 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.535 ' NE2' ' CB ' ' A' ' 97' ' ' ARG . 32.3 mt-30 -47.34 -56.94 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 84.9 mt -38.6 -46.73 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.05 -47.42 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.28 -58.01 8.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -47.13 -67.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -48.27 -65.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -39.55 -39.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.5 tp -73.9 -64.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.2 p -42.63 -41.48 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 t -70.7 -40.55 72.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 37.5 t80 -60.16 -42.73 95.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.71 HG23 ' HB3' ' A' ' 126' ' ' CYS . 49.9 mm -71.54 -33.73 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -52.14 -19.82 6.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 81.9 p -71.38 -41.06 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.4 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -100.68 155.72 36.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.0 Cg_endo -69.73 104.1 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.03 -39.35 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.443 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -101.13 153.21 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.51 154.96 27.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.71 ' HB3' HG23 ' A' ' 117' ' ' ILE . 27.1 m -127.55 -36.02 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -57.13 -27.17 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 13.6 p -64.94 -32.21 73.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.45 -45.82 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.89 2.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.523 HG23 HD11 ' A' ' 68' ' ' LEU . 95.5 mt -54.21 -69.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -49.47 -56.13 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.445 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 82.1 t90 -43.43 -46.58 6.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 135' ' ' GLN . 4.2 mt -60.0 -63.26 1.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 134' ' ' LEU . 71.4 mt-30 -34.63 -55.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.14 -40.59 86.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 134' ' ' LEU . 66.0 m-80 -93.44 48.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.2 t -123.33 -54.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.75 -40.57 80.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.526 ' HA ' HD12 ' A' ' 143' ' ' LEU . 4.0 m -59.02 -26.28 64.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.464 ' O ' ' NE2' ' A' ' 105' ' ' GLN . 18.7 m-85 -84.56 -42.84 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 143' ' ' LEU . 6.0 m-85 -66.77 -47.16 73.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 140' ' ' SER . 50.2 mt -35.47 105.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -122.22 155.6 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.413 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 2.2 tmt_? -95.08 55.21 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 145' ' ' ARG . 0.0 OUTLIER -151.88 156.82 40.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.4 tp -144.84 138.43 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 28.7 m -70.68 176.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 23.6 m -161.74 137.6 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -129.38 146.62 17.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 178.35 4.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.0 t -146.44 162.89 37.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 18.0 m -90.96 172.23 8.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -74.54 118.8 17.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.822 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -85.84 86.62 7.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.77 -93.68 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -131.35 114.31 14.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -46.08 -59.25 2.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.33 167.95 37.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 mmt -116.07 -47.82 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -85.55 148.13 26.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.54 159.77 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -110.75 136.37 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 16' ' ' LEU . 25.5 t -36.86 -36.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -44.04 -53.7 6.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' GLN . 16.6 mt-10 -52.93 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' GLU . 56.2 p -36.61 -55.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.674 HD13 HG23 ' A' ' 47' ' ' ILE . 24.0 mt -64.76 -34.22 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -53.41 -43.27 67.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.66 HD23 HD21 ' A' ' 21' ' ' LEU . 15.0 mt -74.83 -12.9 60.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.72 ' HB3' HD12 ' A' ' 62' ' ' ILE . 72.1 mt-30 -83.99 -26.33 29.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.679 HD21 ' O ' ' A' ' 44' ' ' LEU . 31.5 mt -84.46 -31.91 24.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 22' ' ' GLU . 1.7 pp -77.12 -41.88 40.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.808 ' OE1' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -53.61 -38.56 64.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.42 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 89.6 mmm -48.37 -43.95 34.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -60.53 -47.65 85.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.445 ' HE3' HD11 ' A' ' 125' ' ' LEU . 8.0 mtt -59.54 -47.19 86.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.808 HD12 ' OE1' ' A' ' 22' ' ' GLU . 7.1 mt -59.71 -46.27 89.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.415 ' CD2' ' O ' ' A' ' 23' ' ' MET . 27.9 m-85 -61.95 -33.53 74.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 m -68.27 -43.91 76.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtm -65.13 -9.79 25.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD2' ' O ' ' A' ' 26' ' ' LEU . 39.1 m-85 -122.1 94.71 47.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -43.51 2.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.288 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.01 124.06 14.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 33' ' ' GLN . 20.8 mp0 -76.11 75.89 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.36 52.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' OE1' ' CD1' ' A' ' 30' ' ' PHE . 21.4 mt-10 -117.67 -61.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 64' ' ' PHE . 31.0 t -68.68 119.76 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -104.47 101.8 11.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 64' ' ' PHE . 5.7 mt -91.79 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -86.14 -31.47 21.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 43' ' ' ALA . 36.9 m-20 -140.9 115.98 9.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.88 -15.21 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -102.42 7.92 40.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 40' ' ' ASP . . . -63.58 -45.8 88.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.679 ' O ' HD21 ' A' ' 20' ' ' LEU . 1.6 mt -69.46 -48.57 60.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.465 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 11.4 m -59.63 -43.36 93.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -46.05 -26.5 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.674 HG23 HD13 ' A' ' 16' ' ' LEU . 15.5 mt -84.79 -29.3 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 45' ' ' THR . 9.2 mmmm -57.33 -39.69 76.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 52' ' ' GLU . 18.0 mtp85 -68.65 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -69.65 -45.63 68.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.14 -37.04 61.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 49' ' ' ARG . 11.9 pt-20 -81.3 -24.79 36.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 54' ' ' THR . . . 101.27 -32.65 7.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 2.7 t -36.05 -38.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 0.0 111.194 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.5 ttt85 -66.04 146.74 54.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 57' ' ' ALA . 1.1 pm0 -110.38 -39.79 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 56' ' ' GLU . . . -102.25 139.95 37.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.765 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -57.05 126.45 73.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 110.931 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.765 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.8 159.25 54.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.336 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.54 5.74 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -43.24 156.61 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' A' ' 19' ' ' GLN . 52.5 mt -77.68 95.01 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.61 ' OE2' HG23 ' A' ' 82' ' ' THR . 3.0 tp10 -118.09 129.32 55.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.666 ' HB3' HD23 ' A' ' 38' ' ' LEU . 5.2 p90 -160.1 173.61 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 t -122.38 127.67 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.543 HD11 ' HE2' ' A' ' 64' ' ' PHE . 53.3 mt -106.52 124.9 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -83.98 114.29 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 131' ' ' ILE . 1.0 OUTLIER -81.48 96.95 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.509 ' NE2' ' C ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -75.66 69.81 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.5 mm -47.36 136.3 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 12.5 pt-20 -74.87 -50.65 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.462 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 13.7 tt0 -151.43 122.44 3.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.3 Cg_endo -69.77 144.07 75.64 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 -1.785 . . . . 0.0 112.322 0.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.1 82.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.2 m -128.54 171.2 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -116.15 139.55 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.4 mt -140.3 117.65 9.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -79.95 118.04 21.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.801 HD11 HD22 ' A' ' 94' ' ' LEU . 9.1 tp -112.14 105.74 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -80.75 111.84 17.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.555 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.5 p -103.44 121.03 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.61 HG23 ' OE2' ' A' ' 63' ' ' GLU . 2.7 m -119.25 114.19 22.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.172 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.54 110.47 49.98 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.433 ' CG ' HD21 ' A' ' 90' ' ' LEU . 54.1 Cg_endo -69.69 -169.16 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.396 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.597 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -84.09 7.12 19.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.818 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' TYR . 13.3 m -106.89 -58.3 1.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.634 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.82 149.92 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.705 0.764 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.75 -8.29 10.41 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 -1.783 . . . . 0.0 112.318 -0.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' PRO . 8.3 m-30 -34.33 -50.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 90' ' ' LEU . 1.3 pp -104.85 -175.36 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -95.58 102.68 14.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.045 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 94' ' ' LEU . 4.6 pp -50.12 171.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.16 116.01 28.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.801 HD22 HD11 ' A' ' 79' ' ' LEU . 6.3 mt -114.83 153.9 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -149.32 109.47 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -111.52 116.4 4.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -144.39 147.25 33.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 p -139.31 140.99 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 t -47.15 -38.72 12.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -60.81 -56.54 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 105' ' ' GLN . 20.2 mt -59.02 140.9 55.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -87.61 164.05 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -48.46 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -48.62 -39.08 22.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.509 ' HB3' HD22 ' A' ' 101' ' ' LEU . 18.6 mm100 -65.25 -49.46 69.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -49.6 -49.83 45.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.23 -34.83 66.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 50.1 mt -70.25 -43.19 71.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.705 HD12 ' CE1' ' A' ' 141' ' ' TYR . 5.5 tp -67.81 -59.7 3.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -49.27 -60.46 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -39.6 -47.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.14 -44.05 96.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 114' ' ' THR . 7.3 tp -69.68 -62.18 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 113' ' ' LEU . 32.2 p -35.26 -55.55 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -63.77 -45.72 88.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.431 ' CZ ' ' CD1' ' A' ' 133' ' ' TRP . 56.9 t80 -51.15 -35.98 38.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.424 HD11 ' HB2' ' A' ' 130' ' ' ALA . 15.4 mm -81.68 -32.36 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.4 -14.3 56.78 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 71.8 p -81.82 -37.57 26.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 129' ' ' ALA . 13.1 m-85 -46.52 147.04 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.38 154.93 46.68 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.585 0.707 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.59 57.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 111.58 -37.85 3.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 11.0 pt-20 -100.62 170.79 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.445 HD11 ' HE3' ' A' ' 25' ' ' MET . 19.1 mt -79.93 155.99 27.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 4.6 m -126.2 -48.29 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.504 HG11 HD11 ' A' ' 26' ' ' LEU . 9.3 p -44.63 -41.62 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.437 ' N ' HG13 ' A' ' 127' ' ' VAL . 30.6 p -55.69 -37.46 68.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 120' ' ' PHE . . . -77.22 -49.79 14.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -37.96 -44.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.058 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.463 HG23 ' CD1' ' A' ' 68' ' ' LEU . 59.8 mt -57.73 -74.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -41.76 -52.9 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.431 ' CD1' ' CZ ' ' A' ' 116' ' ' TYR . 76.5 t90 -50.22 -49.21 53.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 137' ' ' ASN . 4.3 mt -56.47 -61.63 2.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 134' ' ' LEU . 27.3 mt-30 -35.11 -56.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -69.03 -36.01 77.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' LEU . 71.4 m-80 -102.82 53.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.0 t -133.54 -54.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -56.66 -44.24 81.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 139' ' ' ALA . 3.7 m -36.99 -47.5 0.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.705 ' CE1' HD12 ' A' ' 109' ' ' LEU . 38.1 m-85 -68.56 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 145' ' ' ARG . 18.9 m-85 -43.29 -52.93 5.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 37.2 mt -40.29 111.46 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 71.4 38.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 146' ' ' LYS . 28.6 mmt180 -152.06 164.69 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 145' ' ' ARG . 64.6 mttt -34.5 121.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.891 HD22 ' N ' ' A' ' 148' ' ' VAL . 0.0 OUTLIER -167.07 163.43 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.891 ' N ' HD22 ' A' ' 147' ' ' LEU . 58.2 t -138.36 135.03 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 33.5 p -102.93 -62.6 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -173.99 84.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.302 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.5 p -89.08 147.98 23.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 50.5 m -93.55 136.2 34.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.471 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 m -42.37 -58.62 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 t -147.54 116.76 6.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.61 85.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -131.79 166.13 22.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p -83.02 92.01 7.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.819 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.54 178.9 18.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -105.68 -54.44 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -75.15 105.82 6.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.65 167.56 1.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -100.41 133.27 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' LYS . 98.1 t -38.24 -39.31 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 12' ' ' VAL . 42.0 mttp -34.75 -65.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' SER . 61.1 mm-40 -53.24 -54.2 39.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 5.7 p -36.13 -56.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 mt -75.71 -34.2 60.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.43 -53.34 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.09 -14.93 63.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 15' ' ' SER . 34.2 mt-30 -86.49 -17.87 33.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.13 -37.08 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.71 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -75.39 -37.52 60.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' N ' HD12 ' A' ' 21' ' ' LEU . 2.0 pp20? -64.86 -18.63 65.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.7 mmm -73.88 -41.77 61.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.44 -48.79 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.522 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 8.1 ptp -55.92 -29.96 60.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.74 -49.92 34.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.2 m-85 -50.84 -43.46 59.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m -54.59 -42.59 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtm -60.66 -47.92 84.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' O ' ' O ' ' A' ' 27' ' ' PHE . 32.7 m-85 -101.79 112.85 65.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.61 6.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.744 2.296 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -81.75 102.87 11.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -37.46 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -39.32 -48.03 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.85 -65.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' A' ' 64' ' ' PHE . 10.8 t -78.97 100.72 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -96.15 113.82 25.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mt -99.02 124.06 43.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -54.56 -34.7 62.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -153.02 128.33 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.4 m -70.21 -16.29 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -85.57 6.87 25.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.89 66.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mt -69.94 -40.83 75.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.5 m -63.21 -60.73 3.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -41.88 -36.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.489 HD11 HG13 ' A' ' 62' ' ' ILE . 93.4 mt -65.31 -51.22 67.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -53.65 -23.83 12.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mmp_? -76.79 -43.89 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.823 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 4.0 t80 -61.12 -29.24 69.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.9 -53.32 58.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.02 -15.48 59.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.25 21.56 54.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.415 ' O ' HG23 ' A' ' 54' ' ' THR . 5.2 t -95.24 23.82 5.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 111.15 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -120.91 148.87 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -101.39 -39.61 7.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.57 157.38 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -63.98 126.33 89.84 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.703 . . . . 0.0 110.951 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.771 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.72 161.94 43.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.38 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 138.37 37.83 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.378 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 pttp -71.34 158.59 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 62' ' ' ILE . 89.1 mt -82.96 85.56 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.33 124.08 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.517 ' HE2' HD11 ' A' ' 66' ' ' ILE . 19.3 p90 -151.61 -178.44 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 80' ' ' GLN . 73.1 t -131.5 130.6 62.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.517 HD11 ' HE2' ' A' ' 64' ' ' PHE . 48.6 mt -107.79 125.62 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.737 HG23 ' HG2' ' A' ' 76' ' ' LYS . 73.0 m -86.79 97.38 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.206 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.3 mt -78.65 139.66 38.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.56 118.72 35.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLU . 33.4 mm -87.09 106.96 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' ILE . 13.2 pt-20 -33.89 -46.61 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.1 tt0 -160.05 122.79 1.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.669 0.747 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.8 148.84 87.64 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.386 0.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.29 83.76 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.8 m -126.22 167.11 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.737 ' HG2' HG23 ' A' ' 67' ' ' THR . 0.5 OUTLIER -107.35 137.07 46.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.2 mt -131.46 112.13 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -77.34 102.57 6.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.76 HD11 HD22 ' A' ' 94' ' ' LEU . 18.3 tp -90.18 97.54 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.494 ' HA ' HG22 ' A' ' 65' ' ' VAL . 13.5 mt-30 -75.48 103.25 5.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.541 HG23 HD21 ' A' ' 94' ' ' LEU . 1.8 p -97.95 143.97 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 m -140.05 104.99 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 2.1 mtt -101.26 103.24 25.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 0.0 110.827 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -168.43 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.488 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -85.05 11.56 9.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.471 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 17.5 m -111.08 -60.5 1.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.66 149.51 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.67 0.748 . . . . 0.0 110.926 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.4 Cg_endo -69.74 -22.77 9.42 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.747 -1.772 . . . . 0.0 112.299 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.435 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 45.0 m-85 -35.74 -47.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.52 HD23 ' C ' ' A' ' 90' ' ' LEU . 4.7 tt -97.59 150.46 21.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.492 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -71.93 95.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.087 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.625 HD12 ' N ' ' A' ' 93' ' ' GLN . 2.7 pp -51.95 175.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.625 ' N ' HD12 ' A' ' 92' ' ' LEU . 26.7 tp60 -118.48 143.94 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.76 HD22 HD11 ' A' ' 79' ' ' LEU . 7.3 mt -137.48 155.68 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.69 110.74 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.39 114.05 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.465 ' HD3' ' NE2' ' A' ' 106' ' ' GLN . 3.2 mmm180 -121.81 134.41 54.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 p -140.93 165.92 26.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -71.83 -35.89 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -66.57 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 101' ' ' LEU . 18.1 mt -40.91 147.42 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.02 -176.38 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -56.19 -59.0 5.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 105' ' ' GLN . 11.5 t-80 -55.88 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 104' ' ' HIS . 31.0 mt-30 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.465 ' NE2' ' HD3' ' A' ' 97' ' ' ARG . 17.5 mt-30 -49.55 -61.49 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -38.91 -45.44 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.64 -46.74 86.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 tp -63.12 -64.4 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -45.01 -62.28 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -41.2 -54.24 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.58 -45.91 92.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 114' ' ' THR . 8.7 tp -65.18 -64.33 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.96 0.409 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 113' ' ' LEU . 21.0 p -37.37 -57.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.0 t -59.93 -45.88 91.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 31.6 t80 -50.66 -34.22 25.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.909 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.505 HG23 ' HB3' ' A' ' 126' ' ' CYS . 25.3 mm -82.64 -25.3 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -64.47 -17.13 61.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 78.6 p -78.14 -46.18 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -41.3 142.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.59 154.85 73.85 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.559 0.695 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.435 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.2 Cg_endo -69.76 153.26 69.15 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 100.34 -40.95 2.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 13.0 pt-20 -92.66 163.39 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.43 153.4 37.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.505 ' HB3' HG23 ' A' ' 117' ' ' ILE . 70.9 m -128.37 -40.99 1.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.9 p -50.19 -30.32 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 19.0 t -69.45 -29.02 66.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.37 -43.74 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -47.03 -50.07 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 60.7 mt -44.0 -57.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.13 -59.04 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.562 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.4 t90 -39.82 -43.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 135' ' ' GLN . 7.3 mt -65.4 -63.13 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 134' ' ' LEU . 30.7 mt-30 -35.77 -42.98 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.57 -44.17 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -92.09 50.34 1.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -127.73 -62.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.39 -45.47 35.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.435 ' HA ' HD12 ' A' ' 143' ' ' LEU . 22.0 m -56.88 -27.36 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -84.53 -40.23 17.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 143' ' ' LEU . 35.2 m-85 -66.35 -51.67 54.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 140' ' ' SER . 17.4 mt -36.8 104.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -158.0 -177.54 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -88.37 110.04 20.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -100.1 106.28 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.8 mt -104.86 138.82 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 9.9 p -145.91 150.88 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 3.4 m -155.24 175.25 14.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.93 93.42 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 141.35 44.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 70.7 m -155.85 -176.0 5.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.2 m -136.73 170.64 15.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -111.9 164.26 13.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -144.57 157.85 44.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.85 -137.69 20.42 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p 37.62 43.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.4 p -111.98 121.72 45.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.26 -115.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -53.06 -60.01 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -77.56 168.22 20.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.79 178.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t -87.01 131.74 34.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.4 t -44.76 -37.57 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -40.5 -66.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -41.28 -52.2 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -57.03 -64.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.5 mt -47.05 -35.29 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -47.68 81.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.0 -34.44 77.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.844 ' HB3' HD12 ' A' ' 62' ' ' ILE . 1.8 mp0 -63.78 -18.9 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 20' ' ' LEU . 21.8 mt -87.16 -54.62 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.662 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -54.66 -36.51 64.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 26' ' ' LEU . 9.2 pt-20 -61.94 -18.88 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 81.9 mmm -77.95 -65.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -45.87 -41.08 10.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.518 ' HE3' HD12 ' A' ' 21' ' ' LEU . 9.9 ptp -65.22 -38.56 90.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.636 HD23 ' CE ' ' A' ' 29' ' ' MET . 20.2 mt -71.32 -41.35 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -54.58 -43.24 71.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.1 m -67.69 -22.55 65.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.636 ' CE ' HD23 ' A' ' 26' ' ' LEU . 13.6 mtm -77.96 -27.58 49.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -126.48 72.65 73.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.748 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.44 30.85 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 34' ' ' GLY . 6.6 m-20 -71.91 117.88 14.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.1 mt-30 35.12 33.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 37.06 72.96 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -39.71 -33.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.823 HG13 ' CD2' ' A' ' 64' ' ' PHE . 14.4 t -75.16 108.81 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -100.72 114.03 27.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -95.8 109.24 21.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -56.47 -28.3 59.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.59 93.06 3.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.8 m -58.94 -16.6 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -98.39 20.42 12.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.91 -42.51 17.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.94 -45.11 62.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.8 m -59.63 -57.31 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -43.51 -44.56 6.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.8 -62.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -43.73 -41.51 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.808 ' O ' HG22 ' A' ' 54' ' ' THR . 36.3 mtp180 -61.25 -38.49 86.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.9 OUTLIER -68.92 -32.55 72.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.7 -38.49 85.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -83.22 -3.73 57.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.88 25.6 66.66 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 49' ' ' ARG . 5.6 t -98.1 22.2 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.139 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.41 130.48 47.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -83.54 -29.22 28.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.76 166.67 11.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -80.83 127.7 74.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.86 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.79 155.97 64.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.641 2.227 . . . . 0.0 112.32 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.49 21.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -49.84 177.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.844 HD12 ' HB3' ' A' ' 19' ' ' GLN . 84.3 mt -102.14 94.41 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -115.01 133.37 56.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.823 ' CD2' HG13 ' A' ' 36' ' ' VAL . 30.4 p90 -160.67 -179.48 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 79' ' ' LEU . 19.9 t -125.82 129.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.156 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.513 HD11 ' HE2' ' A' ' 64' ' ' PHE . 12.6 mt -106.55 128.0 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -86.79 107.25 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -79.24 109.54 13.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.924 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -84.56 78.61 9.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 24.3 mm -60.87 105.65 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.36 -41.75 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 0.2 OUTLIER -163.92 131.99 2.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.667 0.746 . . . . 0.0 110.896 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.79 128.6 12.87 Favored 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.734 -1.778 . . . . 0.0 112.322 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 ttmt -46.9 103.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 142' ' ' PHE . 35.2 m -150.1 173.47 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -118.36 119.86 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.9 mt -119.17 118.9 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.53 109.01 18.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.915 HD11 HD22 ' A' ' 94' ' ' LEU . 10.3 tp -95.02 121.63 36.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -93.02 97.96 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.537 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.8 p -95.75 136.13 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -138.38 110.32 7.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.417 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -113.69 110.5 49.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.76 -166.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.511 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -80.13 -4.16 51.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' TYR . 2.6 m -95.66 -61.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.648 ' CE2' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -33.87 149.91 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.68 -3.11 7.39 Favored 'Cis proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.349 -0.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.401 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 6.7 m-30 -38.4 -50.94 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 90' ' ' LEU . 1.9 pp -104.82 -175.02 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.15 106.93 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.648 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.5 pp -58.22 167.89 1.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -110.63 128.11 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.915 HD22 HD11 ' A' ' 79' ' ' LEU . 8.2 mt -123.54 151.68 42.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -138.67 112.38 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.88 110.98 3.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -135.74 139.17 43.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 t -139.91 131.42 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 p -49.92 -28.27 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -81.64 -39.09 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -60.87 171.47 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -122.0 176.11 5.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -63.37 -50.0 71.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -61.06 -47.88 84.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -57.53 -54.66 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -46.69 -56.0 6.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -45.14 -40.23 6.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.2 mt -72.57 -39.65 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 141' ' ' TYR . 4.2 tp -64.49 -57.9 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.502 ' ND2' ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER -52.19 -62.62 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -45.47 -62.18 1.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.67 -33.48 9.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.535 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.419 HD21 HD13 ' A' ' 94' ' ' LEU . 7.4 tp -79.25 -67.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.8 p -38.11 -52.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 t -62.94 -39.2 93.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 t80 -61.51 -43.0 99.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 117' ' ' ILE . 23.8 mm -75.35 -6.62 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.72 1.06 88.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 p -100.02 2.17 43.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.331 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -82.18 160.02 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.47 156.55 39.33 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 127.82 15.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.48 -35.69 2.62 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.1 pt-20 -108.26 162.25 14.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.8 mt -74.15 154.79 38.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.1 m -120.88 -39.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.5 p -51.77 -31.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 23.9 p -56.41 -32.19 64.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.87 -52.12 7.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.04 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.5 mt -52.24 -57.88 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -63.49 -60.3 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.502 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 71.5 t90 -38.55 -53.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 137' ' ' ASN . 5.7 mt -52.74 -58.12 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 134' ' ' LEU . 65.9 mt-30 -37.28 -58.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -71.39 -26.83 62.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.502 ' ND2' ' CE2' ' A' ' 133' ' ' TRP . 69.6 m-80 -102.04 50.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.2 t -132.94 -62.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -39.79 -39.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.1 t -57.92 -43.6 86.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.435 ' CE1' HD12 ' A' ' 109' ' ' LEU . 47.1 m-85 -75.21 -4.34 38.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 75' ' ' VAL . 6.5 m-85 -110.8 5.4 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 27.3 mt -115.59 -174.31 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -50.35 -177.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 71.78 41.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.71 120.16 33.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.86 89.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.504 HG22 ' H ' ' A' ' 149' ' ' SER . 3.6 p -161.21 166.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.504 ' H ' HG22 ' A' ' 148' ' ' VAL . 8.4 t -135.18 153.23 52.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -171.61 141.26 6.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -179.79 3.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.705 2.27 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -161.17 117.42 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 3.8 t -122.92 166.58 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.466 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -101.75 42.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 p -146.16 174.84 10.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -153.32 82.6 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.7 p 36.88 41.37 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -132.06 126.08 32.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.0 179.9 45.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.68 178.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -65.39 -68.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.49 174.26 11.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.3 t -83.31 123.61 29.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 16' ' ' LEU . 89.9 t -42.45 -28.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -48.36 -47.83 36.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' GLN . 5.5 mp0 -63.99 -67.56 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.486 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 25.7 p -35.88 -46.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 12' ' ' VAL . 16.9 mt -76.82 -38.58 53.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.527 ' HG3' HD12 ' A' ' 18' ' ' LEU . 1.5 tp60 -61.71 -58.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD12 ' HG3' ' A' ' 17' ' ' GLN . 9.4 mp -52.87 -32.44 44.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.718 ' HB3' HD12 ' A' ' 62' ' ' ILE . 38.0 mt-30 -61.45 -22.52 65.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD21 HD12 ' A' ' 47' ' ' ILE . 73.8 mt -83.69 -47.42 11.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.76 -32.06 63.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.503 ' HB3' HD13 ' A' ' 125' ' ' LEU . 4.0 pt-20 -78.06 -32.85 51.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.85 -58.7 6.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -52.59 -35.92 55.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 19.8 mtm -69.63 -38.68 77.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD13 ' CZ ' ' A' ' 64' ' ' PHE . 19.7 mt -64.83 -45.33 86.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -54.62 -51.39 65.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.4 t -48.76 -52.31 24.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 50.1 mtm -56.34 -38.68 71.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -109.95 80.9 1.88 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -39.69 6.11 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.682 2.255 . . . . 0.0 112.307 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -67.12 128.37 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.49 165.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.36 -47.61 3.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' OE1' ' CA ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -40.76 -62.02 0.86 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.709 HG13 ' CD2' ' A' ' 64' ' ' PHE . 61.9 t -99.24 100.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -96.35 109.44 21.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.24 111.94 23.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -51.52 -29.02 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CG ' ' HB2' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -136.28 120.92 18.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.0 m -81.34 -16.53 12.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -99.01 8.09 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.525 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . . . -64.07 -48.1 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -67.76 -47.16 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 91.6 m -50.64 -51.55 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 49' ' ' ARG . 86.7 m-20 -54.04 -54.42 39.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 HD21 ' A' ' 20' ' ' LEU . 69.5 mt -40.36 -50.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -55.48 -36.53 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 46' ' ' ASN . 30.3 mtp180 -70.14 -12.19 61.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -91.98 -37.23 12.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.969 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.99 -39.37 93.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.88 -28.7 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 55' ' ' ARG . . . 109.95 -36.92 4.01 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 53' ' ' GLY . 5.5 t -34.65 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.146 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 24.4 ttt-85 -117.34 134.07 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.809 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -103.09 -54.0 2.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.12 116.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.67 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -44.65 120.11 3.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.573 0.702 . . . . 0.0 110.912 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.67 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.1 Cg_endo -69.83 156.16 63.89 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 129.03 16.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.318 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -57.95 162.14 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 19' ' ' GLN . 86.0 mt -89.93 105.6 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -125.47 127.23 46.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.709 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -153.59 178.16 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 t -121.26 126.33 74.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.578 HD11 ' HE2' ' A' ' 64' ' ' PHE . 63.6 mt -109.09 125.01 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.2 m -84.73 124.66 31.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.461 HD11 HG23 ' A' ' 131' ' ' ILE . 4.5 mm? -95.54 95.44 8.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -73.04 77.62 1.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.8 124.3 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.42 -53.14 61.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 7.7 tt0 -150.97 122.93 3.97 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.5 Cg_endo -69.75 154.58 93.3 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.347 0.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -75.96 90.92 3.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.3 m -135.38 176.35 8.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -119.2 137.07 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.81 108.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.73 108.57 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.936 HD11 HD22 ' A' ' 94' ' ' LEU . 25.6 tp -97.19 115.32 27.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.38 100.8 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.0 p -93.47 141.47 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -140.86 115.75 9.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.23 98.75 44.15 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.577 0.703 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 177.33 5.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.534 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -63.77 -7.59 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 58.7 m -91.88 -64.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.71 149.92 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.64 0.733 . . . . 0.0 110.95 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.3 Cg_endo -69.7 -25.56 7.91 Favored 'Cis proline' 0 C--O 1.231 0.16 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.318 -0.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' PRO . 47.1 m-85 -33.85 -44.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 5.1 tt -101.83 148.92 24.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.96 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -61.73 177.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -117.02 130.42 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.936 HD22 HD11 ' A' ' 79' ' ' LEU . 10.0 mt -133.24 133.5 42.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -136.32 115.62 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -114.72 112.87 2.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -122.38 137.52 54.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -138.12 127.58 24.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -45.91 -49.97 15.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -53.51 -47.75 69.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 101' ' ' LEU . 13.1 mt -56.14 175.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -121.14 -178.42 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -73.09 -48.07 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.639 ' HA ' HD23 ' A' ' 107' ' ' LEU . 35.3 t60 -74.02 -25.05 59.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -77.54 -38.11 49.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -69.03 -54.15 16.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 107' ' ' LEU . 1.3 pp -45.1 -38.38 5.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 107' ' ' LEU . 33.0 mt -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 141' ' ' TYR . 6.0 tp -66.55 -63.33 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -43.12 -61.76 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -52.05 -45.73 64.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.49 -28.68 72.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.533 HD13 ' HG ' ' A' ' 134' ' ' LEU . 7.5 tp -79.26 -48.99 13.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -59.33 -32.86 70.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 119' ' ' THR . 68.4 m -68.4 -37.52 80.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.906 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -71.57 -38.31 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 130' ' ' ALA . 18.7 mm -75.02 -28.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.36 -15.94 70.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.53 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 115' ' ' SER . 72.0 p -73.52 -46.62 46.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 111.119 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -42.19 152.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.36 156.27 37.84 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 122.7 9.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.47 -19.69 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.486 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -118.87 173.3 6.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' A' ' 22' ' ' GLU . 38.6 mt -80.07 154.73 27.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.617 ' HB3' HG23 ' A' ' 117' ' ' ILE . 62.0 m -124.32 -46.73 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 12.0 p -46.81 -32.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 4.2 t -61.41 -35.43 77.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.85 -51.81 7.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.7 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -40.16 -42.57 1.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 68' ' ' LEU . 96.3 mt -55.43 -70.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -50.85 -53.49 31.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -40.65 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.533 ' HG ' HD13 ' A' ' 113' ' ' LEU . 14.3 mt -40.21 -61.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -38.53 -64.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -59.11 -24.72 63.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 134' ' ' LEU . 25.2 m-80 -113.48 53.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -124.88 -51.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.62 82.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.408 ' O ' HD12 ' A' ' 143' ' ' LEU . 53.0 m -43.65 -34.51 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.411 ' CE1' HD12 ' A' ' 109' ' ' LEU . 34.5 m-85 -86.25 -52.46 5.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.477 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 56.3 m-85 -57.97 -74.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 140' ' ' SER . 14.1 mt 41.22 42.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -156.6 163.71 39.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 145' ' ' ARG . 20.8 ttm105 -156.19 149.98 25.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -141.23 -175.27 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.784 HD22 ' C ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -121.71 160.8 23.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.513 ' N ' HD22 ' A' ' 147' ' ' LEU . 27.5 m -121.92 170.92 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 10.2 t -147.21 175.4 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.808 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 141.99 146.94 4.75 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -176.13 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.1 p -158.06 177.18 11.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.1 m -140.84 176.31 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.43 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -147.07 168.36 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -130.49 168.66 16.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -81.68 -51.02 4.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.9 p 35.87 42.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.86 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -55.42 141.53 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.86 -125.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.3 mtt -59.03 169.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.316 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -72.5 -42.04 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.91 -175.53 3.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -133.34 145.9 50.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG12 HD12 ' A' ' 16' ' ' LEU . 14.0 t -47.45 -20.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HE2' HD13 ' A' ' 51' ' ' LEU . 2.6 mtpm? -50.19 -62.86 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -64.05 -50.56 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.8 m -47.99 -63.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD12 HG12 ' A' ' 12' ' ' VAL . 12.1 mt -55.06 -36.64 65.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -33.74 66.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.54 -25.29 50.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.895 ' HB3' HD12 ' A' ' 62' ' ' ILE . 69.6 mt-30 -76.59 -20.96 56.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 20' ' ' LEU . 17.9 mt -85.39 -41.42 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -74.75 -38.73 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.1 pp20? -63.56 -28.54 70.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -54.96 -39.85 69.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.99 -53.79 23.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.528 ' HE3' HD11 ' A' ' 21' ' ' LEU . 6.1 mtt -47.93 -35.39 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.81 -51.09 24.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -53.88 -40.48 66.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 m -60.7 -44.97 95.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 34.7 mtm -64.8 -19.81 66.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -122.13 81.16 44.0 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.61 0.719 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -40.45 5.32 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.53 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -49.38 135.89 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -83.57 85.94 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.06 33.58 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -111.41 -63.6 1.39 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 64' ' ' PHE . 58.1 t -85.33 127.76 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -118.52 110.11 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' ASP . 11.4 mt -94.76 99.58 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -40.31 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -154.39 116.26 4.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.495 HG23 ' N ' ' A' ' 42' ' ' ASN . 27.2 m -69.22 -44.87 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.495 ' N ' HG23 ' A' ' 41' ' ' VAL . 1.7 m-80 -57.32 -12.7 2.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.0 -45.26 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 44' ' ' LEU . 4.4 mt -61.94 -45.33 94.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' ASN . 86.8 m -58.99 -61.61 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' THR . 18.0 m-80 -37.71 -33.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 16' ' ' LEU . 85.7 mt -70.53 -49.25 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -46.56 -41.69 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -58.68 -30.78 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.478 ' CZ ' ' HB ' ' A' ' 12' ' ' VAL . 9.4 t80 -65.56 -29.3 69.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 HD13 ' HE2' ' A' ' 13' ' ' LYS . 4.6 mm? -79.14 -9.44 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -107.02 -30.08 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.76 -9.3 70.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.9 t -69.13 -1.49 7.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.855 0.359 . . . . 0.0 111.194 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.49 ' NE ' ' HD3' ' A' ' 59' ' ' PRO . 8.8 ttp-105 -98.55 151.72 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 55' ' ' ARG . 39.0 mt-10 -126.14 -26.48 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' LEU . . . -104.9 114.29 28.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.885 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -37.41 127.36 0.87 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.885 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.7 153.21 69.47 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.67 8.36 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.274 . . . . 0.0 112.366 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -52.93 143.24 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.895 HD12 ' HB3' ' A' ' 19' ' ' GLN . 86.7 mt -68.24 108.46 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -128.12 126.86 41.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.76 ' O ' HG12 ' A' ' 81' ' ' VAL . 4.5 p90 -156.33 165.92 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.717 HG11 ' OD2' ' A' ' 78' ' ' ASP . 58.4 t -114.58 126.33 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.63 HD11 ' HE2' ' A' ' 64' ' ' PHE . 83.6 mt -106.37 125.02 62.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.666 HG23 ' HG3' ' A' ' 76' ' ' LYS . 8.2 m -85.16 99.47 11.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD21 HD22 ' A' ' 79' ' ' LEU . 4.5 mm? -66.84 93.04 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -75.39 79.12 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 135' ' ' GLN . 44.7 mm -50.51 138.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.35 -43.91 69.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 9.5 tt0 -162.08 121.36 1.43 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.82 148.18 86.34 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 -1.808 . . . . 0.0 112.31 0.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -73.41 93.71 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.492 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 20.3 m -136.37 172.24 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.099 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.666 ' HG3' HG23 ' A' ' 67' ' ' THR . 33.7 tttt -107.64 135.74 48.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.455 HG23 ' OG ' ' A' ' 98' ' ' SER . 70.1 mt -134.55 99.37 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.717 ' OD2' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -64.32 114.26 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 94' ' ' LEU . 4.6 tp -110.0 96.82 6.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -73.19 99.02 2.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 64' ' ' PHE . 7.9 p -93.63 151.11 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -142.19 120.48 12.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.423 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 29.9 mtt -110.49 98.5 36.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.82 -178.37 2.33 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.565 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -76.31 -3.52 37.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 29.6 m -96.58 -62.15 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.31 149.74 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.942 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.79 -23.58 9.02 Favored 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.346 -0.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.455 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 43.6 m-85 -35.28 -46.26 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 4.8 tt -99.22 154.58 18.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -73.48 103.71 4.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.603 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.6 pp -57.2 177.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -119.75 125.73 49.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 79' ' ' LEU . 9.9 mt -127.26 137.1 52.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -140.52 110.97 6.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.485 ' H ' ' ND2' ' A' ' 110' ' ' ASN . . . -107.04 115.83 4.78 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 ptt85 -118.03 140.12 50.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.455 ' OG ' HG23 ' A' ' 77' ' ' ILE . 14.6 m -140.15 130.8 25.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.4 t -51.16 -36.71 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.76 -48.44 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 105' ' ' GLN . 81.8 mt -62.95 127.93 33.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -86.45 -179.2 6.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.7 ttm180 -47.51 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 105' ' ' GLN . 20.1 t60 -41.55 -55.05 3.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.485 ' HB3' HD22 ' A' ' 101' ' ' LEU . 1.1 mp0 -36.68 -53.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 108' ' ' LEU . 31.3 mt-30 -65.0 -50.58 65.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.7 mp -39.95 -29.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' GLN . 72.9 mt -93.05 -47.44 6.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.44 -59.43 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' ' 96' ' ' GLY . 24.0 m120 -58.83 -64.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -50.17 -55.17 16.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.89 -26.27 47.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.01 -59.99 2.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.5 p -38.64 -48.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -67.03 -48.1 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.461 ' CE1' ' CD1' ' A' ' 133' ' ' TRP . 43.8 t80 -51.64 -39.15 57.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 126' ' ' CYS . 30.2 mm -75.41 -20.12 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.07 -15.64 78.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -78.88 -10.01 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.62 154.39 40.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.15 149.61 38.93 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.567 0.698 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.455 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 54.3 Cg_endo -69.76 112.0 2.96 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.9 -36.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 12.6 pt-20 -97.4 165.94 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.14 152.88 36.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.513 ' HB3' HG23 ' A' ' 117' ' ' ILE . 27.3 m -124.6 -41.79 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.9 p -51.26 -30.16 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 25.1 p -62.89 -29.13 70.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.57 -46.72 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.52 -37.85 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.505 HG23 ' CD1' ' A' ' 68' ' ' LEU . 96.7 mt -61.49 -60.14 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -59.71 -51.52 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' CE1' ' A' ' 116' ' ' TYR . 74.3 t90 -47.01 -46.94 22.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.432 HD13 ' HG ' ' A' ' 68' ' ' LEU . 7.4 mt -58.64 -65.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 70' ' ' ILE . 51.1 mt-30 -46.51 -45.57 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -54.68 -55.22 32.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.424 ' O ' ' CD1' ' A' ' 141' ' ' TYR . 1.7 m-80 -106.97 55.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -104.92 -57.6 2.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.93 70.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.5 t -54.64 -20.93 9.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.424 ' CD1' ' O ' ' A' ' 137' ' ' ASN . 16.5 m-85 -90.44 -49.9 6.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.492 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 23.4 m-85 -54.35 -45.73 72.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 142' ' ' PHE . 34.1 mt -35.81 -51.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -62.87 105.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.62 -35.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp 46.35 48.33 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.5 tt -130.07 117.35 19.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.3 t -116.31 135.81 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.6 t -133.58 168.03 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -157.89 83.68 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 179.5 3.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 37.4 m -135.33 164.51 27.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 56.2 p -160.93 177.9 9.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -67.71 129.45 39.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -147.91 150.88 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.76 -104.42 2.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -156.22 111.3 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -85.26 152.35 23.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.7 -134.71 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -113.03 -56.03 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -56.89 124.53 18.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.36 163.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.7 m -76.08 139.09 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.6 t -59.88 -32.11 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -44.65 -32.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' GLN . 8.8 mm-40 -78.5 -67.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' GLU . 45.7 p -38.37 -46.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.77 -38.62 89.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -59.2 -38.2 79.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -76.75 -28.33 55.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.762 ' HB3' HD12 ' A' ' 62' ' ' ILE . 46.2 mt-30 -68.39 -24.64 64.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.31 -53.87 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.693 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.3 pp -54.1 -40.2 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.605 ' N ' HD12 ' A' ' 21' ' ' LEU . 7.6 pt-20 -56.71 -34.22 67.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 81.5 mmm -52.87 -43.01 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -62.39 -37.08 84.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.422 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 9.6 mtt -70.97 -38.61 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.64 -48.18 56.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -55.66 -48.7 74.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -54.73 -45.4 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 41.4 mtm -59.88 -37.97 80.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -108.67 80.73 1.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -31.01 21.61 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -70.21 108.36 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -47.25 140.65 5.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 -43.64 1.67 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -44.97 -63.7 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG13 ' CD2' ' A' ' 64' ' ' PHE . 57.4 t -93.2 116.31 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -118.19 112.0 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 64' ' ' PHE . 12.7 mt -91.92 94.76 9.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -43.83 -33.19 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.91 90.29 3.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.4 m -60.23 -35.15 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -69.29 -12.19 61.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.67 -52.84 63.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 38' ' ' LEU . 8.0 mt -53.82 -40.45 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ASN . 98.2 m -68.3 -59.61 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' THR . 11.8 m-80 -36.46 -44.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.9 mt -57.26 -65.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -37.65 -41.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' HG22 ' A' ' 54' ' ' THR . 86.6 mtt-85 -59.14 -45.33 91.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 47' ' ' ILE . 31.5 t80 -70.19 -15.46 62.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 52.8 mt -86.52 -41.76 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -69.81 -20.14 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.98 23.25 20.89 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 49' ' ' ARG . 8.3 t -101.38 -4.67 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 111.155 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -122.84 148.39 45.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -114.33 -34.25 5.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.65 128.41 34.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.644 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -52.84 116.21 8.68 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.644 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.78 166.77 26.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.65 69.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -78.46 174.73 11.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 19' ' ' GLN . 69.9 mt -96.81 98.05 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -117.79 131.3 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.518 ' HB3' HD23 ' A' ' 38' ' ' LEU . 6.9 p90 -156.33 176.34 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.5 t -119.09 128.24 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.422 HD11 ' HE2' ' A' ' 64' ' ' PHE . 29.9 mt -107.24 126.62 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -88.41 121.11 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 68' ' ' LEU . 3.9 mm? -91.12 101.08 13.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.89 77.21 5.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.6 mm -55.79 122.07 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -53.11 -44.28 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -167.85 133.47 1.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.75 131.77 20.27 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.37 0.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 8.9 ttmt -52.38 103.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 73' ' ' PRO . 22.5 m -143.16 -176.92 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -123.99 137.01 54.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -138.44 117.1 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.99 113.38 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.872 HD11 HD22 ' A' ' 94' ' ' LEU . 22.3 tp -102.12 101.76 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -79.99 95.11 6.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.97 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.479 HG21 ' CG2' ' A' ' 127' ' ' VAL . 2.2 p -91.64 141.32 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 m -140.48 107.54 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.535 ' HB3' ' CD1' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -105.7 98.73 18.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.885 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.8 Cg_endo -69.73 166.17 28.47 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.539 ' CD2' ' H ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -47.97 -23.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 61.1 m -75.47 -66.21 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.627 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -34.22 149.33 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.694 0.759 . . . . 0.0 110.944 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -25.06 8.25 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.307 0.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -34.16 -43.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.5 tt -100.63 147.58 25.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.53 99.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.535 HD11 HD12 ' A' ' 94' ' ' LEU . 4.0 pp -52.58 177.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.495 ' N ' HD12 ' A' ' 92' ' ' LEU . 32.9 tt0 -123.24 122.36 38.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.872 HD22 HD11 ' A' ' 79' ' ' LEU . 3.9 mt -120.83 147.64 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -145.67 124.55 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -115.64 138.16 14.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -138.2 135.47 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.596 ' HB3' HD12 ' A' ' 101' ' ' LEU . 32.1 t -140.54 118.67 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.4 m -38.14 -42.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -68.92 -63.79 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' ' 98' ' ' SER . 95.4 mt -39.92 130.68 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -92.85 160.95 14.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' ASP . 15.9 tpt180 -34.78 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.459 ' NE2' HD11 ' A' ' 108' ' ' LEU . 54.2 t60 -39.55 -50.26 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -58.32 -70.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -39.55 -40.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -65.96 -53.97 32.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.459 HD11 ' NE2' ' A' ' 104' ' ' HIS . 98.3 mt -59.74 -29.68 68.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.2 tp -74.77 -46.74 35.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.945 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -69.43 -63.52 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -39.61 -46.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.48 91.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 5.9 tp -62.78 -57.01 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.875 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 17.3 p -40.89 -52.51 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 t -62.57 -50.41 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.407 ' CD1' ' CD1' ' A' ' 133' ' ' TRP . 61.0 t80 -51.92 -25.68 8.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 130' ' ' ALA . 35.9 mm -87.38 -36.26 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.29 -19.7 53.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 120' ' ' PHE . 36.9 p -67.18 -52.65 38.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 129' ' ' ALA . 12.2 m-85 -35.35 142.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -82.74 156.24 67.87 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.732 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 113.68 3.46 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.43 -50.69 0.72 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -86.87 162.23 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.2 mt -68.27 151.74 46.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.6 m -125.79 -36.4 2.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 81' ' ' VAL . 9.0 p -52.31 -36.69 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 6.7 t -55.71 -34.2 64.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 120' ' ' PHE . . . -75.8 -51.25 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -40.19 -40.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.78 -65.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -53.76 -56.91 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 89.0 t90 -40.13 -62.45 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 12.8 mt -46.19 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -44.34 -59.46 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -46.15 -44.05 15.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -117.19 59.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.4 t -107.4 -59.95 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -54.92 -45.59 74.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 143' ' ' LEU . 35.7 t -41.11 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 m-85 -91.12 -49.46 6.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.526 ' CE1' HD21 ' A' ' 101' ' ' LEU . 29.9 m-85 -54.05 -46.15 71.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 140' ' ' SER . 63.3 mt -40.54 104.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -154.89 162.28 41.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -69.38 101.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 0.2 OUTLIER -153.06 152.26 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.56 ' C ' HD23 ' A' ' 147' ' ' LEU . 8.1 tt -143.0 130.69 21.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.455 ' N ' HD23 ' A' ' 147' ' ' LEU . 99.2 t -124.1 108.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.092 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 58.6 m -72.93 170.76 14.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -179.1 145.55 6.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 -174.25 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.238 . . . . 0.0 112.317 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.3 t -116.87 159.19 22.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 67.5 m -86.77 -67.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -116.21 86.37 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.823 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -150.84 157.58 43.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.57 -87.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -70.41 138.5 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -87.3 11.59 13.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.9 -152.65 7.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ttt -87.32 81.82 7.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -125.46 101.47 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.87 122.19 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 73.1 m -66.86 131.53 46.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 53.2 t -36.35 -41.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' O ' HD21 ' A' ' 51' ' ' LEU . 45.5 mttt -36.25 -53.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.47 -64.1 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.5 p -42.31 -55.6 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.705 HD22 HG12 ' A' ' 47' ' ' ILE . 41.2 mt -57.44 -42.53 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' HB3' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -49.11 -59.88 3.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 18' ' ' LEU . 6.2 mp -61.26 -38.08 85.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.779 ' HB3' HD12 ' A' ' 62' ' ' ILE . 15.8 mt-30 -53.9 -23.04 11.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.479 HD23 HD11 ' A' ' 62' ' ' ILE . 85.7 mt -90.16 -50.93 5.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.824 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -58.3 -29.61 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.649 ' OE1' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -71.53 -20.27 62.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' LEU . 87.5 mmm -78.02 -66.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -41.98 -33.25 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 14.5 ptp -76.94 -37.85 54.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.649 HD12 ' OE1' ' A' ' 22' ' ' GLU . 16.2 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.11 -39.32 92.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.6 t -73.87 -37.92 64.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 45.2 mtp -58.27 -39.8 80.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' HZ ' HD13 ' A' ' 131' ' ' ILE . 57.9 m-85 -106.29 94.86 10.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.655 0.74 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -17.49 37.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.659 2.24 . . . . 0.0 112.41 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -50.62 -176.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -108.06 -54.47 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' OE1' ' A' ' 35' ' ' GLU . . . -98.84 76.79 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.557 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -134.07 -48.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.945 0.403 . . . . 0.0 110.907 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.561 HG13 ' CD2' ' A' ' 64' ' ' PHE . 9.6 t -113.68 102.95 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -102.36 126.5 49.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -108.76 118.93 38.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -54.55 -29.88 52.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -167.18 109.2 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.2 m -53.98 -22.25 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 15.4 m-80 -60.37 -23.92 64.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.0 -44.01 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.72 -39.03 87.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ILE . 92.5 m -61.7 -67.32 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.187 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 59' ' ' PRO . 14.2 m-20 -36.26 -32.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.705 HG12 HD22 ' A' ' 16' ' ' LEU . 48.8 mt -71.0 -58.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.25 -32.43 1.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 54' ' ' THR . 41.0 mtt180 -71.31 -53.97 12.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -52.62 -30.37 31.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 13' ' ' LYS . 12.6 mt -59.31 -42.42 91.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -30.08 25.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 100.78 26.46 8.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' ARG . 5.8 t -92.92 -40.04 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.796 0.332 . . . . 0.0 111.197 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 11.5 tpp180 -53.29 164.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 10.6 tp10 -109.4 -45.46 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.08 150.39 27.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -56.85 127.92 75.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.835 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.75 146.32 59.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 126.55 13.41 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.4 pttt -47.41 162.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.779 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.6 mt -88.1 87.3 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.55 129.99 53.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' HG13 ' A' ' 36' ' ' VAL . 7.8 p90 -159.83 -179.88 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.8 t -121.77 126.31 74.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.456 HD11 ' HE2' ' A' ' 64' ' ' PHE . 33.1 mt -106.57 132.7 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.7 m -90.51 133.11 35.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.686 HD11 HG23 ' A' ' 131' ' ' ILE . 4.4 mm? -108.58 103.41 12.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.66 95.7 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 73' ' ' PRO . 18.7 mm -71.88 116.63 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -51.47 -65.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tp10 -133.98 119.25 14.58 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.638 0.732 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.74 177.17 29.74 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.378 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -96.01 99.29 11.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.428 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 21.3 m -144.98 176.1 2.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -119.21 123.04 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.1 mt -118.85 127.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -91.57 113.44 25.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.796 HD11 HD22 ' A' ' 94' ' ' LEU . 4.4 tp -104.32 103.96 13.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.472 ' O ' HD23 ' A' ' 94' ' ' LEU . 4.2 mm100 -74.68 120.75 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.42 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.3 p -115.89 140.71 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 m -140.76 106.73 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.429 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.1 OUTLIER -106.88 103.21 46.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.926 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.78 -166.28 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -81.36 10.8 5.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.484 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 38.1 m -110.34 -61.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.58 150.03 0.11 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.666 0.746 . . . . 0.0 110.908 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.559 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.76 -24.65 8.46 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.342 -0.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 29.0 m-85 -34.41 -44.72 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 3.1 tt -99.91 148.91 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.62 102.17 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -57.23 -176.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' N ' HD12 ' A' ' 92' ' ' LEU . 36.5 tt0 -125.97 116.45 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 79' ' ' LEU . 8.9 mt -118.53 148.91 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -147.73 121.86 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.24 118.24 5.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -136.74 135.42 38.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 t -137.08 154.45 50.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.809 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -60.46 -47.59 85.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.34 -55.47 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 105' ' ' GLN . 54.0 mt -45.66 137.89 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -95.53 175.15 6.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -48.3 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.441 ' CD2' HD11 ' A' ' 108' ' ' LEU . 11.8 t60 -46.89 -53.33 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.548 ' HB3' HD22 ' A' ' 101' ' ' LEU . 6.7 mp0 -49.72 -55.73 12.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -49.36 -59.87 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.0 mt -47.57 -63.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.441 HD11 ' CD2' ' A' ' 104' ' ' HIS . 59.4 mt -47.69 -51.19 22.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.7 tp -52.96 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -47.47 -66.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -39.66 -56.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.26 -50.68 58.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.456 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.522 HD11 ' HB1' ' A' ' 130' ' ' ALA . 13.2 tp -58.74 -64.13 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.2 p -37.94 -49.31 1.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 t -66.59 -48.92 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 29.5 t80 -49.18 -28.7 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 126' ' ' CYS . 26.4 mm -88.97 -23.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -65.47 -22.25 69.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.3 p -72.07 -20.94 61.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -67.09 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.98 155.12 37.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.546 0.689 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.438 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.6 Cg_endo -69.72 119.67 6.58 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.49 -42.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.546 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.4 pt-20 -99.0 178.15 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.84 153.34 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.662 ' HB3' HG23 ' A' ' 117' ' ' ILE . 10.0 m -125.47 -42.68 1.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.7 p -55.86 -23.9 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.49 -38.6 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.81 -52.06 16.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -38.85 -37.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.686 HG23 HD11 ' A' ' 68' ' ' LEU . 80.8 mt -60.74 -69.56 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -50.58 -42.9 56.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 89.2 t90 -55.16 -64.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 135' ' ' GLN . 10.5 mt -40.55 -56.2 2.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.4 mt-30 -34.43 -63.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.39 -45.73 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -83.95 49.41 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.6 m -131.98 -55.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -50.99 -38.61 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 t -62.92 -38.08 89.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -68.28 -54.98 13.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.487 ' CE1' HD21 ' A' ' 101' ' ' LEU . 25.4 m-85 -51.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 142' ' ' PHE . 31.6 mt -34.35 105.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 145' ' ' ARG . 21.6 t-20 -162.38 133.68 5.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 144' ' ' ASN . 27.0 ttt180 -35.74 112.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -136.67 142.29 43.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 147' ' ' LEU . 3.3 mm? -109.97 168.76 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 149' ' ' SER . 9.1 m -107.29 -3.78 10.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 148' ' ' VAL . 11.2 t 35.47 38.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 38.26 89.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 111.7 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.1 t -144.95 130.81 19.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 96.4 p -117.44 162.88 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.1 m -107.34 -44.88 4.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.858 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 93.9 p 38.09 42.46 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.49 -128.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 70.09 43.08 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -119.74 108.96 15.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.3 -164.56 11.49 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -51.78 -45.5 63.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.2 m -109.99 132.06 54.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 157.33 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 129.68 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.801 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' LYS . 92.7 t -38.12 -43.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' VAL . 83.8 mttt -34.67 -50.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.9 -68.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 m -40.09 -64.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.9 mt -40.56 -43.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -52.86 61.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.556 HD12 ' H ' ' A' ' 18' ' ' LEU . 6.5 mp -58.56 -21.47 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.831 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.8 mt-30 -82.35 -18.82 40.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD11 ' CG2' ' A' ' 47' ' ' ILE . 82.6 mt -92.21 -27.1 17.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -81.27 -32.96 33.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.637 ' OE1' HD22 ' A' ' 125' ' ' LEU . 10.7 pt-20 -75.69 -33.78 60.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.6 mmm -60.63 -57.67 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -53.87 -29.93 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.8 mtm -78.16 -24.91 47.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.5 -46.71 21.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -51.62 -51.13 58.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -58.06 -36.67 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.3 mtm -67.6 -23.68 65.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -121.74 83.79 42.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.711 0.767 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -39.34 6.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -41.31 108.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.84 95.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.77 41.67 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -109.14 -56.18 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' A' ' 64' ' ' PHE . 93.4 t -94.45 116.93 36.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.575 ' CG ' ' HB ' ' A' ' 65' ' ' VAL . 11.1 ptpt -106.48 118.59 37.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 64' ' ' PHE . 10.6 mt -103.67 125.8 50.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -62.31 -25.74 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -149.48 113.34 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -68.68 -19.63 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.414 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 5.1 m-80 -85.52 15.06 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.58 -55.15 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -62.38 -45.94 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 93.6 m -58.18 -59.1 5.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.174 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 72.0 m-20 -39.76 -47.46 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.492 ' CG2' HD11 ' A' ' 20' ' ' LEU . 67.4 mt -54.2 -63.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.0 mtpt -38.02 -31.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' ILE . 57.2 mtp180 -77.36 -42.61 35.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 47' ' ' ILE . 40.0 t80 -66.13 -12.46 55.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 48' ' ' LYS . 85.6 mt -86.85 -46.44 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.24 -24.91 67.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.79 -23.75 21.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 t -51.81 -31.11 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 111.149 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -110.14 122.53 47.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.78 -39.23 11.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 133.95 55.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.677 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -62.11 123.43 77.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.5 Cg_endo -69.79 158.15 57.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 131.81 22.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -53.51 160.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.831 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.0 mt -91.06 91.02 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.93 55.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.525 ' CD2' HG13 ' A' ' 36' ' ' VAL . 16.7 p90 -152.56 176.43 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.575 ' HB ' ' CG ' ' A' ' 37' ' ' LYS . 55.4 t -116.02 128.3 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.511 HD11 ' HE2' ' A' ' 64' ' ' PHE . 39.8 mt -108.32 131.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.6 m -92.42 120.56 33.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.7 102.44 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -75.51 71.95 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.0 mm -55.41 115.99 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.48 -57.16 13.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 11.0 tt0 -147.28 123.86 5.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.672 0.749 . . . . 0.0 110.861 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.75 148.89 87.63 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.322 -0.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -72.24 97.88 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.567 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.8 m -140.57 -176.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -127.26 133.53 50.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.7 mt -133.4 125.96 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 115.71 24.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.604 HD11 HD22 ' A' ' 94' ' ' LEU . 13.3 tp -108.6 95.88 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -75.06 100.62 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.547 HG23 HD21 ' A' ' 94' ' ' LEU . 3.0 p -94.87 145.29 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.2 m -140.58 113.75 8.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.51 ' CE ' HG11 ' A' ' 127' ' ' VAL . 8.0 mtt -104.05 98.62 14.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.538 0.685 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.35 42.42 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.526 ' H ' ' CD2' ' A' ' 85' ' ' HIS . 2.2 m170 -50.85 -17.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' TYR . 38.5 m -82.84 -64.8 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.695 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -35.09 149.11 0.11 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.732 0.777 . . . . 0.0 110.856 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.5 Cg_endo -69.75 -24.56 8.5 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.342 -0.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 122' ' ' PRO . 5.6 m-85 -33.25 -43.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 91' ' ' ALA . 8.7 tt -100.59 154.82 18.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.769 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -74.54 92.65 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.695 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -46.12 173.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -119.42 121.76 40.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.604 HD22 HD11 ' A' ' 79' ' ' LEU . 7.9 mt -115.85 136.29 53.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -132.29 102.86 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.86 120.73 6.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' HB2' ' NE2' ' A' ' 106' ' ' GLN . 7.7 ptt180 -128.16 146.47 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -140.54 136.18 32.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.9 p -52.4 -45.03 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -61.23 -54.13 48.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 105' ' ' GLN . 65.7 mt -54.93 145.42 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -105.03 176.23 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -47.1 -53.49 12.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -55.68 -44.23 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.543 ' HB3' HD22 ' A' ' 101' ' ' LEU . 12.6 mm100 -65.65 -70.48 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' A' ' 97' ' ' ARG . 31.9 mt-30 -35.61 -39.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.622 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.7 OUTLIER -66.25 -56.46 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.85 -45.99 71.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 tp -60.54 -64.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -48.14 -56.82 6.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -52.57 -51.57 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.11 -41.25 92.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 116' ' ' TYR . 6.9 tp -69.74 -65.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' LEU . 39.3 p -34.85 -48.68 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 119' ' ' THR . 14.1 m -64.72 -43.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 13.1 t80 -59.44 -25.48 64.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.498 HD11 ' HB2' ' A' ' 130' ' ' ALA . 26.1 mm -91.2 -35.1 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.55 -7.05 9.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 115' ' ' SER . 22.3 p -92.06 -8.52 45.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -73.64 147.79 43.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.28 152.1 52.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.462 ' CB ' ' HA ' ' A' ' 89' ' ' TYR . 53.9 Cg_endo -69.77 131.8 21.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.34 -40.37 2.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.74 165.24 13.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.637 HD22 ' OE1' ' A' ' 22' ' ' GLU . 29.8 mt -76.46 152.37 36.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 11.6 m -127.51 -54.68 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.51 HG11 ' CE ' ' A' ' 83' ' ' MET . 10.0 p -43.25 -33.27 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 38.6 t -60.67 -40.63 92.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 130' ' ' ALA . . . -75.97 -50.58 14.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.498 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -37.5 -50.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.08 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.19 -65.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -54.8 -48.19 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.559 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 74.8 t90 -48.38 -50.93 28.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 79' ' ' LEU . 8.2 mt -55.24 -58.63 6.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 134' ' ' LEU . 32.6 mt-30 -34.81 -49.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -75.09 -45.27 42.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -90.04 38.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.8 m -125.62 -43.8 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.66 67.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 p -63.27 -19.19 64.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -85.94 -53.14 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 5.4 m-85 -42.05 -54.45 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 142' ' ' PHE . 44.6 mt -35.1 98.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 142' ' ' PHE . 2.4 t-20 -171.84 118.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -47.35 119.91 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.495 ' HE3' ' N ' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -174.97 109.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 147' ' ' LEU . 1.7 pt? -126.1 149.24 49.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.8 m -102.24 174.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 94.3 p -153.41 145.35 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.67 140.91 3.0 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.2 t -151.44 169.77 21.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 2.7 m -146.11 166.16 26.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -149.99 148.84 29.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -42.31 -47.89 4.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.56 -168.59 38.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -111.47 159.01 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.885 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -93.28 42.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.96 -50.25 3.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.0 tpp -122.02 44.8 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.827 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -149.76 160.84 43.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.79 174.87 6.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -116.94 137.44 52.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.3 t -44.28 -41.02 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.897 ' HG2' HD23 ' A' ' 51' ' ' LEU . 12.4 mtmm -41.49 -59.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.98 -49.07 69.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 63.2 m -45.03 -71.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.87 -40.07 83.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 3.2 tp60 -49.46 -55.19 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.2 mt -57.12 -24.41 53.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -80.15 -15.27 57.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 20' ' ' LEU . 13.9 mt -82.77 -36.35 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -71.82 -36.08 70.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HA ' ' CG ' ' A' ' 25' ' ' MET . 22.2 pt-20 -68.43 -22.33 64.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.6 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -60.41 -34.49 74.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.23 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.495 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 9.0 ptp -46.2 -41.19 12.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.51 -46.92 87.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 23' ' ' MET . 18.2 m-85 -59.01 -49.57 77.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -56.66 -43.9 80.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.7 mtm -61.44 -17.07 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' CZ ' HD13 ' A' ' 131' ' ' ILE . 74.2 m-85 -127.02 85.12 61.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.732 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -32.59 18.27 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.392 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -49.43 157.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -103.15 110.84 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.96 32.45 2.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -98.76 -69.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.18 105.83 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -95.59 103.13 14.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.4 mt -84.99 109.55 18.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -46.98 -33.78 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.787 ' CG ' ' HB2' ' A' ' 43' ' ' ALA . 10.7 p-10 -138.84 132.57 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -80.27 -32.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.483 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 1.4 p30 -79.14 2.38 21.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.787 ' HB2' ' CG ' ' A' ' 40' ' ' ASP . . . -63.03 -39.79 95.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 44' ' ' LEU . 5.6 mt -69.41 -45.91 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.621 HG22 ' HD3' ' A' ' 49' ' ' ARG . 98.1 m -59.95 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 50.1 m-80 -33.77 -38.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.544 ' CD1' HD11 ' A' ' 62' ' ' ILE . 94.7 mt -63.76 -52.19 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' THR . 74.2 mttt -55.24 -59.04 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.621 ' HD3' HG22 ' A' ' 45' ' ' THR . 1.5 mpt_? -44.74 -52.94 7.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 53' ' ' GLY . 1.2 t80 -54.54 -51.44 65.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.897 HD23 ' HG2' ' A' ' 13' ' ' LYS . 11.2 mt -46.2 -21.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -30.18 15.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 96.71 28.89 8.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 t -100.23 -14.11 18.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 111.172 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 -133.33 81.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -43.15 -48.8 6.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.7 114.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.776 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -49.19 126.41 15.24 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.636 0.732 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.776 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 154.29 67.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.445 ' HD2' ' CB ' ' A' ' 46' ' ' ASN . 53.7 Cg_endo -69.76 134.42 27.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.668 2.245 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -62.31 150.87 38.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 47' ' ' ILE . 82.1 mt -79.3 88.83 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.07 126.56 55.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.537 ' CE1' HG11 ' A' ' 81' ' ' VAL . 17.9 p90 -151.67 179.93 7.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG22 ' OE1' ' A' ' 80' ' ' GLN . 21.7 t -127.34 126.54 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.2 mt -107.53 124.94 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.1 m -76.95 121.96 24.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.54 94.22 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.03 78.96 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.4 mm -58.55 115.03 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -44.94 -42.46 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 3.3 pt-20 -165.86 131.25 1.91 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.638 0.732 . . . . 0.0 110.857 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.2 Cg_endo -69.72 127.93 11.66 Favored 'Cis proline' 0 C--O 1.232 0.184 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.307 -0.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 1.3 tppt? -49.69 91.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' PRO . 34.7 m -134.18 -176.77 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -123.53 128.51 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 77.4 mt -129.72 99.56 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.17 113.62 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD11 HD22 ' A' ' 94' ' ' LEU . 15.1 tp -104.16 109.56 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.483 ' OE1' HG22 ' A' ' 65' ' ' VAL . 31.6 mm-40 -90.58 102.15 14.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 94' ' ' LEU . 1.3 p -92.01 144.41 9.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.7 m -136.86 106.78 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.129 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.403 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 0.6 OUTLIER -106.83 98.65 21.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.564 0.697 . . . . 0.0 110.855 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.9 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.662 2.242 . . . . 0.0 112.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.2 OUTLIER -73.97 -1.1 18.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 25.5 m -97.38 -62.33 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.79 ' CD2' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -34.18 147.5 0.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.651 0.739 . . . . 0.0 110.936 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 52.8 Cg_endo -69.8 -24.89 8.35 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.314 -0.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 88' ' ' PRO . 5.5 m-85 -33.93 -42.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.48 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 2.7 tt -101.61 149.74 23.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.46 94.79 2.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.79 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.2 pp -48.99 177.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -127.48 122.49 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD22 HD11 ' A' ' 79' ' ' LEU . 5.5 mt -114.29 147.69 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -140.15 109.91 6.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.01 114.35 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' CB ' ' NE2' ' A' ' 106' ' ' GLN . 21.4 ptt85 -134.91 147.38 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -140.95 148.34 40.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 63.8 p -48.02 -39.01 18.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -73.01 -37.07 67.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 101' ' ' LEU . 12.1 mt -77.97 125.51 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -88.16 176.94 7.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -58.28 -37.76 75.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.605 ' HA ' HD23 ' A' ' 107' ' ' LEU . 72.1 t60 -65.58 -72.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 108' ' ' LEU . 18.0 mt-30 -41.66 -41.85 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' CB ' ' A' ' 97' ' ' ARG . 34.1 mt-30 -56.06 -47.23 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 104' ' ' HIS . 0.6 OUTLIER -55.58 -40.39 71.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 105' ' ' GLN . 12.1 mt -66.98 -53.1 34.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.477 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 7.7 tp -53.05 -54.57 33.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' GLY . 29.7 m-80 -56.9 -65.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -40.09 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -83.23 -40.15 9.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.636 HD21 HD13 ' A' ' 94' ' ' LEU . 3.3 tp -74.72 -55.57 5.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.914 0.388 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 113' ' ' LEU . 20.6 p -34.91 -59.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.728 ' O ' HG23 ' A' ' 119' ' ' THR . 19.1 m -55.93 -57.66 11.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -47.48 -31.86 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.787 HG23 ' HB3' ' A' ' 126' ' ' CYS . 16.2 mm -81.64 -33.47 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.18 -5.49 89.61 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.728 HG23 ' O ' ' A' ' 115' ' ' SER . 80.7 p -78.1 -12.91 60.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.811 0.338 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -75.72 -177.38 3.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.7 160.13 29.07 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 86.73 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.15 -20.99 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -92.93 170.74 9.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 21' ' ' LEU . 47.2 mt -95.91 142.02 28.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.787 ' HB3' HG23 ' A' ' 117' ' ' ILE . 56.3 m -115.57 -48.29 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 10.2 p -41.22 -34.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 63.5 m -65.58 -40.85 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 126' ' ' CYS . . . -76.83 -45.36 28.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.607 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -39.47 -50.92 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.413 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 94.7 mt -53.1 -74.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -44.42 -55.55 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.532 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 86.8 t90 -44.67 -54.35 6.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.69 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -42.32 -55.97 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.22 -37.82 78.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -112.48 62.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.5 t -125.54 -46.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.72 92.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.841 ' HA ' HD12 ' A' ' 143' ' ' LEU . 6.3 t -44.55 -33.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 109' ' ' LEU . 12.3 m-85 -80.2 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 143' ' ' LEU . 11.3 m-85 -41.79 -48.09 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 140' ' ' SER . 19.1 mt -35.79 107.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -142.39 140.18 31.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -58.62 129.17 40.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -158.91 140.66 13.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -142.78 154.85 44.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.7 t -147.84 133.99 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 33.0 p -62.19 -51.05 69.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 163.01 149.23 5.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 152' ' ' SER . 53.5 Cg_endo -69.7 -43.27 2.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 151' ' ' PRO . 23.2 t -35.59 -66.64 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 7.4 t -69.52 123.02 20.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -167.75 144.62 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -107.14 151.15 25.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.1 117.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -88.77 158.96 17.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 p -98.24 -20.47 17.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.05 -170.41 19.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -109.65 41.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -134.77 156.57 48.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.19 173.05 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' VAL . 75.6 m -145.08 138.87 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 87.5 t -36.72 -36.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' CG ' HD23 ' A' ' 51' ' ' LEU . 17.2 mtmm -44.42 -56.3 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' SER . 10.0 mm-40 -54.49 -66.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' GLU . 1.2 p -36.21 -60.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.86 -34.03 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.543 ' C ' ' CD ' ' A' ' 17' ' ' GLN . 1.5 tp60 -61.38 -56.17 23.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.8 mt -56.22 -26.19 50.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.709 ' HB3' HD12 ' A' ' 62' ' ' ILE . 75.0 mt-30 -70.39 -15.26 62.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.7 mt -88.76 -44.2 10.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.632 ' C ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -60.21 -33.93 72.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -78.82 -32.43 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 23' ' ' MET . 0.0 OUTLIER -51.15 -45.33 61.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 25' ' ' MET . 8.6 pt-20 -70.02 -42.69 72.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.409 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 14.8 mtm -60.57 -34.0 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.12 -51.23 48.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -51.33 -43.94 61.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 t -58.24 -41.54 84.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.9 mtm -71.52 -20.17 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CZ ' HG21 ' A' ' 66' ' ' ILE . 76.6 m-85 -118.97 84.67 26.9 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.0 4.64 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.701 2.267 . . . . 0.0 112.31 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.0 134.42 57.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -60.76 -41.45 95.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.46 56.96 4.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -128.8 -65.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 64' ' ' PHE . 95.9 t -104.98 121.71 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -113.34 118.19 33.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 64' ' ' PHE . 13.7 mt -112.64 109.73 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -40.02 -37.77 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -150.52 126.28 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -73.57 -15.75 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -72.44 -10.28 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.79 77.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD21 ' SD ' ' A' ' 23' ' ' MET . 9.4 mt -72.27 -36.48 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 86.3 m -65.76 -57.71 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -38.6 -45.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 50' ' ' TYR . 93.0 mt -56.44 -62.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -39.62 -44.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.401 ' O ' HG22 ' A' ' 54' ' ' THR . 83.8 mtt180 -62.78 -38.97 92.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.7 t80 -60.89 -52.36 65.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.524 HD23 ' CG ' ' A' ' 13' ' ' LYS . 50.6 mt -47.37 -35.08 7.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.66 -29.91 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.82 50.98 3.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 49' ' ' ARG . 8.8 t -119.92 -8.54 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 0.0 111.124 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -126.11 118.36 25.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.99 -49.78 22.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.0 119.81 7.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -48.06 130.34 12.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.916 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.8 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.75 152.25 69.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -49.41 173.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.709 HD12 ' HB3' ' A' ' 19' ' ' GLN . 79.8 mt -101.09 95.2 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.073 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -116.78 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.565 ' HD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -153.64 -177.99 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.6 t -129.1 126.53 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.71 HG21 ' CZ ' ' A' ' 30' ' ' PHE . 47.5 mt -107.55 137.2 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.458 HG23 ' HG3' ' A' ' 76' ' ' LYS . 79.3 m -93.81 116.03 28.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.429 HD21 HD22 ' A' ' 79' ' ' LEU . 4.5 mm? -81.18 93.39 6.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -74.44 86.7 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 20.6 mm -64.44 106.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -39.63 -47.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.46 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 8.8 tt0 -160.91 125.26 2.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.625 0.726 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.7 Cg_endo -69.73 148.11 85.99 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 -1.816 . . . . 0.0 112.367 -0.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -71.57 101.14 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.11 172.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HG3' HG23 ' A' ' 67' ' ' THR . 13.3 ttmt -114.6 131.5 56.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.2 mt -135.32 112.45 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.86 117.76 18.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.834 HD11 HD22 ' A' ' 94' ' ' LEU . 10.8 tp -105.46 106.19 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -81.2 97.5 7.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.402 HG23 HD21 ' A' ' 94' ' ' LEU . 5.2 p -94.12 143.67 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.9 m -136.04 118.21 15.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.445 ' CE ' HG11 ' A' ' 127' ' ' VAL . 12.4 mtt -111.26 98.59 40.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.521 0.677 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 54.1 Cg_endo -69.7 173.03 11.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.594 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -68.22 -2.69 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.473 ' CB ' HD23 ' A' ' 90' ' ' LEU . 3.2 m -95.83 -63.65 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -35.04 149.34 0.1 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.715 0.769 . . . . 0.0 110.873 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.8 Cg_endo -69.79 -4.31 8.26 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.369 -0.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -38.92 -51.34 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 90' ' ' LEU . 2.8 pp -104.96 -174.15 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.612 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -96.86 100.42 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 87' ' ' TYR . 4.4 pp -45.67 171.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -117.3 119.0 33.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.834 HD22 HD11 ' A' ' 79' ' ' LEU . 9.2 mt -117.72 142.18 47.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -146.34 114.66 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -106.83 119.57 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -118.26 138.19 52.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.349 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -140.2 163.65 32.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -83.75 -43.11 15.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -64.92 -34.68 78.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.45 151.31 46.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ARG . 9.3 m-20 -112.09 157.3 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 19.8 ttp-105 -37.09 -63.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -45.85 -58.72 3.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LEU . 9.2 mm100 -51.5 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 105' ' ' GLN . 22.6 mt-30 -36.75 -50.71 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.0 -43.0 63.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLN . 36.5 mt -65.74 -50.87 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.3 tp -54.1 -59.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -54.48 -65.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -44.02 -50.45 8.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.3 -43.25 98.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 15.7 tp -68.28 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.9 p -40.5 -54.12 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -60.42 -43.16 97.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -55.35 -37.53 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' A' ' 126' ' ' CYS . 47.6 mm -79.63 -29.9 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -57.72 -24.08 52.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.7 p -71.35 -47.19 57.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.108 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -40.43 148.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.05 157.88 37.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.561 0.696 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 151.29 68.97 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 106.13 -41.8 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -97.58 168.28 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 21.6 mt -82.17 148.58 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.529 ' HB3' HG23 ' A' ' 117' ' ' ILE . 56.4 m -122.24 -43.14 2.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.445 HG11 ' CE ' ' A' ' 83' ' ' MET . 5.2 p -47.96 -30.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 52.9 t -63.89 -39.69 94.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -45.37 39.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -43.34 -52.15 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 61.5 mt -43.26 -61.8 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -59.0 -45.86 89.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -52.45 -41.32 63.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 79' ' ' LEU . 6.2 mt -65.74 -62.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 134' ' ' LEU . 66.0 mt-30 -36.52 -49.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.56 -55.97 7.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -81.81 47.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 m -130.69 -60.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -44.91 -48.57 11.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 14.8 m -59.89 -45.75 91.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -51.7 -42.2 62.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.13 -57.34 8.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.6 mt -43.69 100.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -144.37 154.24 42.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -94.66 138.44 32.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.408 ' C ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -131.08 147.13 52.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 12.5 tp -126.29 143.05 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.9 p -143.11 147.94 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 42.3 p -135.52 169.01 18.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.8 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.71 83.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 166.01 29.01 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.8 m -170.0 179.44 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 15.4 t -103.09 155.09 18.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -135.71 141.45 44.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -138.44 146.73 42.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.87 179.15 16.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -152.06 163.89 38.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 110.883 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -108.34 171.28 7.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.72 -141.21 15.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mtt -84.81 -38.2 19.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 m -83.36 149.91 26.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -140.21 177.74 7.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' LYS . 66.1 m -81.75 115.95 21.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 11' ' ' SER . 25.3 t -35.72 -30.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' SER . 57.0 mttp -37.92 -55.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -51.6 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 16' ' ' LEU . 5.0 p -43.08 -58.74 2.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.621 HD13 HG23 ' A' ' 47' ' ' ILE . 14.5 mt -53.86 -34.43 59.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -53.68 44.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.88 -15.78 56.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.537 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.5 mt-30 -85.14 -16.4 40.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.5 -50.87 5.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.736 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -61.52 -39.5 91.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.572 ' N ' HD12 ' A' ' 21' ' ' LEU . 19.7 pt-20 -54.88 -36.12 64.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.1 mmm -52.71 -50.28 63.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.76 -37.19 63.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.7 mtt -70.78 -39.73 73.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mt -70.82 -35.82 72.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.71 -38.38 90.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 t -65.36 -38.69 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.5 mtp -69.01 -25.45 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 131' ' ' ILE . 64.8 m-85 -117.39 81.41 13.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -31.42 20.55 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' GLY . 32.9 m120 -65.9 92.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -45.6 90.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' ASN . . . 163.64 -49.82 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.516 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -38.04 -56.84 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 64' ' ' PHE . 75.7 t -85.46 103.82 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -97.09 110.87 23.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.68 119.82 30.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -51.81 -32.86 33.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -152.73 130.13 11.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 m -70.63 -12.17 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -98.47 10.97 39.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.15 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD2' HG12 ' A' ' 62' ' ' ILE . 5.2 mt -80.76 -42.92 20.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.0 m -58.93 -55.59 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -45.75 -30.35 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.621 HG23 HD13 ' A' ' 16' ' ' LEU . 89.1 mt -78.19 -43.36 27.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -51.37 -38.77 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 54' ' ' THR . 51.7 mtp85 -67.72 -24.63 65.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 5.3 t80 -75.26 -35.42 61.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.48 -44.29 97.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -66.62 -27.62 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 93.44 26.14 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 49' ' ' ARG . 5.1 t -101.82 3.45 39.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 111.122 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.3 ttm-85 -139.61 113.45 8.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -80.83 -51.95 8.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.52 118.3 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -49.93 116.04 5.87 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.666 0.746 . . . . 0.0 110.901 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 116.9 4.78 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 pttm -52.98 176.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 19' ' ' GLN . 34.0 mt -94.7 98.74 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -120.15 124.34 45.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.522 ' HE2' HD11 ' A' ' 66' ' ' ILE . 2.7 p90 -149.18 179.95 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 t -121.01 124.46 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.522 HD11 ' HE2' ' A' ' 64' ' ' PHE . 32.5 mt -106.54 128.22 61.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.8 m -88.09 133.47 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.428 HD12 ' CG ' ' A' ' 135' ' ' GLN . 4.3 mm? -99.78 108.23 20.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.14 77.94 9.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.459 ' N ' HD13 ' A' ' 70' ' ' ILE . 4.8 mm -57.28 122.83 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.57 -51.71 68.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 tt0 -155.98 123.92 2.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.872 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 151.31 91.28 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.34 -0.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -71.99 97.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.16 172.86 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -120.61 133.96 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.6 mt -132.6 104.76 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 113.5 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.946 HD11 HD22 ' A' ' 94' ' ' LEU . 20.7 tp -105.28 124.48 49.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -97.8 100.05 11.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.543 HG23 HD21 ' A' ' 94' ' ' LEU . 2.2 p -90.7 127.61 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.2 m -129.35 96.82 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.511 ' HE1' HG21 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -84.0 117.92 69.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.838 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.424 ' HG2' HD11 ' A' ' 90' ' ' LEU . 53.9 Cg_endo -69.79 -163.26 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -97.01 9.22 42.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.605 ' CB ' HD12 ' A' ' 90' ' ' LEU . 28.2 m -113.35 -54.75 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.646 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.81 150.51 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.703 0.763 . . . . 0.0 110.899 -179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.76 -5.2 8.75 Favored 'Cis proline' 0 C--O 1.232 0.192 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' PRO . 4.5 m-30 -34.34 -44.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.674 HD22 ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -128.98 173.72 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.674 ' N ' HD22 ' A' ' 90' ' ' LEU . . . -74.23 114.43 12.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.591 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.3 pp -62.95 -174.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -107.38 135.4 48.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 79' ' ' LEU . 11.5 mt -140.34 142.65 35.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -149.53 113.37 5.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.18 120.67 6.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 56.2 mtm180 -113.44 134.6 54.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -139.39 152.94 47.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.5 p -74.89 -36.4 62.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.24 -52.36 16.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' HG ' ' CZ ' ' A' ' 142' ' ' PHE . 61.1 mt -51.07 146.85 5.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -109.45 164.29 12.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.2 ttm-85 -43.39 -53.96 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -56.79 -65.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLN . 10.9 mm100 -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 105' ' ' GLN . 1.1 tt0 -34.41 -59.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.84 -57.13 3.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.6 mt -48.83 -55.09 12.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.32 -57.63 9.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -52.53 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -43.17 -53.24 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.03 -34.07 77.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.44 -60.59 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 20.5 p -42.96 -61.21 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.1 t -49.82 -50.97 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 133' ' ' TRP . 18.4 t80 -52.32 -29.24 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.979 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.638 HG23 ' HB3' ' A' ' 126' ' ' CYS . 23.5 mm -85.25 -18.12 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -79.08 -11.99 84.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.3 p -76.34 -35.39 58.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -51.35 156.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.96 156.96 41.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 105.42 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.17 -45.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 6.3 mm-40 -79.67 176.8 9.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.9 mt -95.64 142.18 28.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.638 ' HB3' HG23 ' A' ' 117' ' ' ILE . 77.1 m -115.69 -40.25 3.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.511 HG21 ' HE1' ' A' ' 83' ' ' MET . 11.3 p -51.88 -29.19 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 46.4 t -75.05 -24.21 58.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.13 -28.18 18.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.91 -35.28 74.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.515 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 96.3 mt -65.14 -65.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -53.97 -37.64 64.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.461 ' CD1' ' ND2' ' A' ' 137' ' ' ASN . 88.7 t90 -61.35 -46.22 91.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 138' ' ' SER . 8.0 mt -59.05 -56.24 24.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.428 ' CG ' HD12 ' A' ' 68' ' ' LEU . 45.4 mt-30 -51.66 -53.66 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -62.69 -36.79 84.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.461 ' ND2' ' CD1' ' A' ' 133' ' ' TRP . 39.3 m-20 -111.74 43.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.1 t -107.74 -55.54 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 142' ' ' PHE . . . -52.0 -49.23 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.7 t -42.29 -38.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -79.97 -30.81 39.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.495 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 26.5 m-85 -85.38 -67.28 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' PHE . 14.6 mt 35.38 44.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.29 -64.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -136.9 164.67 27.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -112.58 40.2 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 4.5 pp -159.3 -177.12 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 94.9 t -133.32 129.62 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.098 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.2 t -174.49 148.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -127.14 141.2 12.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 151.57 69.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 85.1 p -138.5 165.23 27.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 49.0 m -132.54 172.87 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -57.5 118.61 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.895 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -112.38 117.86 33.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.68 55.1 4.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -161.12 132.64 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -76.91 -56.59 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.824 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.01 -147.56 8.42 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.2 mtm -68.23 -53.16 26.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -72.1 147.53 46.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.84 166.86 20.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -78.98 136.18 37.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 13' ' ' LYS . 52.7 t -50.26 -44.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' VAL . 47.4 mttt -36.71 -53.99 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -52.3 -67.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -38.46 -63.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.778 HD13 HG23 ' A' ' 47' ' ' ILE . 46.7 mt -45.16 -37.21 4.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.91 -45.15 71.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 18' ' ' LEU . 4.0 mp -74.13 -23.06 59.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.665 ' OE1' HD23 ' A' ' 16' ' ' LEU . 10.7 mt-30 -69.64 -30.06 67.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.623 HD23 HD11 ' A' ' 62' ' ' ILE . 46.3 mt -88.66 -23.75 22.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.2 mt -62.13 -58.02 9.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.907 ' OE1' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -47.07 -39.07 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.503 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 55.6 mmm -44.53 -51.7 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -56.92 -41.18 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 29.0 mtt -70.87 -65.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.907 HD12 ' OE1' ' A' ' 22' ' ' GLU . 75.0 mt -41.98 -44.96 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 23' ' ' MET . 9.3 m-85 -57.81 -47.19 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -62.99 -38.27 90.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 25.2 mtm -71.01 -26.49 63.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -126.46 80.48 69.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.668 0.747 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -45.54 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 32.2 m-20 -49.76 118.07 2.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.3 pm0 -52.02 151.49 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 92.36 -38.61 3.15 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.438 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' GLY . 5.8 mm-40 -36.13 -71.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.935 0.398 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG13 ' CD2' ' A' ' 64' ' ' PHE . 53.8 t -90.89 89.65 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -73.86 112.1 9.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.56 119.01 34.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -48.94 -36.49 17.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -146.88 129.29 15.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.5 m -71.83 -14.3 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -99.78 14.23 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.11 -42.65 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.018 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.4 -54.37 14.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.7 m -50.24 -52.98 31.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -44.11 -43.4 6.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.778 HG23 HD13 ' A' ' 16' ' ' LEU . 69.6 mt -62.38 -49.17 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 51' ' ' LEU . 14.9 mttp -48.04 -41.58 26.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' O ' HG22 ' A' ' 54' ' ' THR . 24.9 mtp85 -64.98 -31.95 73.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CE2' ' CD2' ' A' ' 58' ' ' LEU . 21.6 t80 -78.31 -13.5 59.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 48' ' ' LYS . 71.7 mt -86.21 -7.23 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' HG3' HG22 ' A' ' 54' ' ' THR . 5.3 pt-20 -113.68 -22.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.25 -20.9 29.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.529 HG22 ' HG3' ' A' ' 52' ' ' GLU . 9.5 t -56.02 -17.68 7.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.767 0.318 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.53 136.39 39.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -96.12 -31.2 13.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.74 144.72 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.546 HD22 ' HD2' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -51.62 123.45 23.48 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD2' HD22 ' A' ' 58' ' ' LEU . 53.6 Cg_endo -69.76 160.14 50.79 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.11 17.07 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -52.16 170.61 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.623 HD11 HD23 ' A' ' 20' ' ' LEU . 37.7 mt -93.1 95.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.94 126.05 55.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.662 ' CD2' HG13 ' A' ' 36' ' ' VAL . 44.6 p90 -154.01 -179.98 8.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.8 t -130.89 135.01 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.9 mt -107.48 135.8 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.0 m -95.63 107.9 20.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.94 111.32 16.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.46 81.76 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.968 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.7 mm -61.67 118.37 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -56.09 -45.04 79.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 1.5 pm0 -161.44 130.78 3.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' VAL . 54.1 Cg_endo -69.73 127.71 11.31 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.397 -0.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 2.8 tppt? -45.85 90.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 73' ' ' PRO . 28.2 m -141.72 154.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -97.97 132.68 43.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.1 mt -129.47 115.52 35.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.75 119.09 23.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.769 HD11 HD22 ' A' ' 94' ' ' LEU . 8.4 tp -110.43 105.37 14.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -79.9 116.31 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 1.9 p -110.64 127.68 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 m -127.13 99.0 5.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.538 ' SD ' ' CZ ' ' A' ' 87' ' ' TYR . 1.7 mtm -102.07 110.59 62.8 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.581 0.705 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 83' ' ' MET . 53.6 Cg_endo -69.77 -165.88 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.653 2.236 . . . . 0.0 112.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.441 ' CE1' HD12 ' A' ' 58' ' ' LEU . 1.3 m170 -82.94 -4.69 58.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 25.9 m -90.15 -58.58 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.654 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -37.06 150.14 0.15 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.678 0.751 . . . . 0.0 110.926 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.7 Cg_endo -69.77 -24.81 8.38 Favored 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.321 -0.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 15.5 m-85 -34.08 -45.83 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 86' ' ' SER . 5.2 tt -100.87 150.52 22.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' HD23 ' A' ' 90' ' ' LEU . . . -70.54 113.83 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.3 pp -69.42 179.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.476 ' N ' HD12 ' A' ' 92' ' ' LEU . 6.6 tp60 -121.49 123.93 43.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.769 HD22 HD11 ' A' ' 79' ' ' LEU . 8.3 mt -126.04 123.42 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.71 119.91 30.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.76 133.43 11.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -133.83 137.86 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 101' ' ' LEU . 44.1 t -138.43 145.41 40.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 m -76.12 -8.21 56.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -101.42 -46.08 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.739 HD21 ' CE1' ' A' ' 142' ' ' PHE . 15.1 mt -65.68 148.86 51.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -98.51 172.98 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.541 ' O ' HD23 ' A' ' 107' ' ' LEU . 29.4 ttm180 -52.94 -61.88 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -48.2 -52.3 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -54.53 -60.31 3.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -38.74 -57.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 103' ' ' ARG . 4.3 mm? -39.47 -47.81 1.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.78 -54.07 51.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -56.68 -61.22 2.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -48.22 -61.41 2.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HE3' HD12 ' A' ' 107' ' ' LEU . 34.9 mttt -43.38 -56.32 3.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.14 62.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 133' ' ' TRP . 11.2 tp -68.83 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.92 0.39 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.3 p -37.91 -46.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -70.03 -43.39 71.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.475 ' CD2' ' CD1' ' A' ' 133' ' ' TRP . 42.8 t80 -57.02 -19.63 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' A' ' 126' ' ' CYS . 36.5 mm -97.24 -12.26 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.92 6.02 68.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.3 p -102.13 -14.15 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 111.121 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -68.9 160.23 31.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.71 153.31 37.81 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.68 3.14 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.715 2.277 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 143.61 -39.07 1.32 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.05 164.71 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.2 mt -75.06 152.22 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' A' ' 117' ' ' ILE . 33.8 m -124.29 -28.05 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 6.5 p -63.48 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 9.8 t -64.48 -34.04 77.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -81.31 -45.54 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.24 -47.6 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.42 HD11 ' CD2' ' A' ' 26' ' ' LEU . 72.4 mt -48.41 -66.0 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -55.41 -58.3 8.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.475 ' CD1' ' CD2' ' A' ' 116' ' ' TYR . 44.0 t90 -38.83 -44.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.664 HD11 HD13 ' A' ' 79' ' ' LEU . 6.7 mt -59.7 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 134' ' ' LEU . 59.2 mt-30 -36.22 -55.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.42 -46.83 78.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -91.45 54.3 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.7 m -131.5 -66.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -40.62 -54.38 2.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 t -44.68 -43.05 8.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -66.77 -36.74 83.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.739 ' CE1' HD21 ' A' ' 101' ' ' LEU . 18.1 m-85 -75.36 -63.41 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 142' ' ' PHE . 84.9 mt -34.85 105.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -140.04 161.98 36.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 41.0 ttp85 -53.66 104.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -155.87 114.36 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 147' ' ' LEU . 3.5 mm? -83.39 130.79 35.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 29.9 m -75.87 131.13 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 47.9 t -69.52 -67.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 116.64 -158.51 14.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 108.01 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.278 . . . . 0.0 112.304 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.5 t -70.69 -61.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 4.3 m -65.78 117.62 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -116.24 120.87 40.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -74.19 -56.01 5.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.58 -73.02 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.464 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -55.78 125.26 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -168.68 125.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.81 -150.97 20.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.541 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 9' ' ' SER . 16.3 ptm -117.51 -47.54 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.316 . . . . 0.0 110.817 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 8' ' ' MET . 3.4 t -82.34 134.1 35.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.61 151.75 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 137.1 46.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.526 HG12 HD12 ' A' ' 16' ' ' LEU . 46.8 t -45.95 -25.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -44.05 -64.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -55.9 -60.75 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.1 p -38.54 -65.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.526 HD12 HG12 ' A' ' 12' ' ' VAL . 17.9 mt -49.28 -55.89 11.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -46.82 -51.18 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.8 mt -52.02 -35.82 48.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' HD12 ' A' ' 62' ' ' ILE . 73.9 mt-30 -62.33 -42.38 99.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.52 -30.28 71.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.3 mt -61.36 -55.62 29.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.762 ' HB3' HD13 ' A' ' 125' ' ' LEU . 2.8 pt-20 -56.83 -33.26 66.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 80.6 mmm -57.56 -56.83 16.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.24 -21.07 63.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.3 mtt -88.04 -28.81 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD11 ' OE1' ' A' ' 22' ' ' GLU . 11.0 mt -76.3 -40.86 50.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -55.62 -53.21 59.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -59.91 -34.94 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -68.5 -32.22 72.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -118.11 80.79 15.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.67 0.748 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -42.75 3.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.395 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -53.41 93.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -38.9 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.85 -44.07 1.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -39.31 -65.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.59 HG13 ' CD2' ' A' ' 64' ' ' PHE . 91.2 t -90.33 128.94 41.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -118.05 111.53 19.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.96 104.54 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -43.22 -35.92 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -153.65 109.22 3.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 m -58.17 -17.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -68.79 -14.0 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.54 -45.96 80.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.9 mt -66.47 -39.65 88.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.5 m -63.85 -56.95 11.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -44.09 -30.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' ARG . 69.4 mt -71.8 -62.74 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' HA ' HD12 ' A' ' 51' ' ' LEU . 29.2 mttm -38.73 -30.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' ILE . 93.2 mtt-85 -68.94 -53.58 20.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.3 t80 -50.66 -45.86 58.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 48' ' ' LYS . 14.7 mt -44.45 -32.55 1.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.44 -30.13 20.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' TYR . . . 101.17 26.4 7.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.434 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -104.47 20.67 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.761 0.315 . . . . 0.0 111.12 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 57' ' ' ALA . 1.1 tpm_? -107.87 117.15 33.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -69.09 -14.43 63.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 55' ' ' ARG . . . -149.19 170.55 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.079 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.828 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -70.87 127.5 91.7 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.593 0.711 . . . . 0.0 110.895 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.828 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.73 158.92 55.32 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -45.68 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 19' ' ' GLN . 88.6 mt -95.97 100.17 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -123.19 124.18 42.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.6 p90 -149.56 -179.06 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 t -124.06 124.98 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.56 HD11 ' HE2' ' A' ' 64' ' ' PHE . 23.3 mt -107.32 125.53 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -89.75 106.82 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 131' ' ' ILE . 4.4 mm? -70.97 98.02 1.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -72.6 81.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.6 mm -66.88 109.58 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -47.15 -47.15 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 2.7 pt-20 -158.47 131.92 4.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.886 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.3 Cg_endo -69.74 128.33 12.36 Favored 'Cis proline' 0 C--N 1.342 0.217 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.364 -0.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' N ' ' HA ' ' A' ' 72' ' ' GLU . 7.7 tptt -48.16 94.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.405 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 32.8 m -140.59 176.52 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -119.52 133.21 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 68.9 mt -131.8 110.46 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -79.86 108.59 13.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.829 HD11 HD22 ' A' ' 94' ' ' LEU . 5.6 tp -102.12 116.12 31.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -89.96 105.57 17.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 64' ' ' PHE . 2.6 p -96.32 127.95 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 m -125.55 102.51 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.509 ' HE3' ' OE2' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -97.14 114.91 65.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.904 179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.825 ' CG ' HD23 ' A' ' 90' ' ' LEU . 54.3 Cg_endo -69.68 -170.87 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -81.93 -29.84 32.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.509 ' CB ' ' HB3' ' A' ' 90' ' ' LEU . 1.5 m -77.03 -45.39 27.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.562 ' HA ' ' C ' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -35.01 146.54 0.17 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.752 . . . . 0.0 110.91 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.6 Cg_endo -69.82 -28.07 6.5 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.339 -0.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 88' ' ' PRO . 22.2 m-85 -34.07 -40.85 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.825 HD23 ' CG ' ' A' ' 84' ' ' PRO . 6.0 tp -99.19 156.75 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' N ' ' HG ' ' A' ' 90' ' ' LEU . . . -77.66 120.9 23.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 93' ' ' GLN . 4.4 pp -76.92 -174.85 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.513 ' N ' HD12 ' A' ' 92' ' ' LEU . 13.0 tt0 -131.27 118.78 20.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.829 HD22 HD11 ' A' ' 79' ' ' LEU . 6.3 mt -117.99 147.14 43.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -144.66 114.8 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -117.37 121.42 5.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.53 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.9 ptt-85 -145.35 138.55 26.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.411 ' HB3' HD12 ' A' ' 101' ' ' LEU . 33.3 t -128.64 163.04 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.0 t -63.51 -49.28 74.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.04 -56.28 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 98' ' ' SER . 39.5 mt -41.36 135.21 2.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -94.89 171.28 8.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -48.03 -66.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -44.35 -48.55 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -55.75 -65.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' GLN . 37.3 mt-30 -36.91 -53.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.1 mt -53.37 -50.91 64.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.86 -55.03 40.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.8 tp -52.44 -57.16 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -57.17 -63.35 1.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -42.38 -51.11 5.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.43 90.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 130' ' ' ALA . 16.0 tp -63.43 -68.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 113' ' ' LEU . 6.1 p -35.37 -58.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 t -60.81 -40.24 91.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 42.9 t80 -63.38 -21.33 66.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' A' ' 130' ' ' ALA . 40.6 mm -92.17 -14.04 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.85 17.51 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p -118.55 14.53 13.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -99.81 152.76 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 147.42 65.6 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 0.0 110.851 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 129.62 17.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.44 ' CA ' ' HG2' ' A' ' 88' ' ' PRO . . . 117.43 -29.66 6.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -98.38 159.02 15.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' A' ' 22' ' ' GLU . 15.2 mt -69.26 152.96 44.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 7.3 m -128.2 -43.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 128' ' ' CYS . 10.3 p -49.4 -44.06 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.504 ' N ' HG13 ' A' ' 127' ' ' VAL . 16.9 m -53.51 -27.94 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -84.89 -39.13 18.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 113' ' ' LEU . . . -55.17 -45.38 75.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 68' ' ' LEU . 96.1 mt -51.12 -59.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -60.16 -44.41 95.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -54.26 -36.47 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 138' ' ' SER . 4.7 mt -72.15 -61.04 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -40.64 -55.77 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.61 -47.54 83.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -99.7 44.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 134' ' ' LEU . 13.8 t -106.29 -51.87 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 141' ' ' TYR . . . -67.6 -43.99 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.047 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 21.0 m -41.58 -24.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 139' ' ' ALA . 37.4 m-85 -85.77 -51.99 6.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 143' ' ' LEU . 27.3 m-85 -48.7 -47.98 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 142' ' ' PHE . 76.3 mt -37.19 106.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -169.77 137.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -56.85 150.98 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -161.65 147.55 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 tt -114.22 111.75 22.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 30.6 m -72.16 126.08 32.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.6 t -152.25 154.13 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -172.62 86.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 163.17 39.29 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.636 2.224 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 84.9 p -105.4 177.56 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 33.4 p -152.22 -179.0 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -133.94 -48.31 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -43.43 159.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.8 -150.64 7.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -104.52 177.04 4.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -125.96 148.87 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.87 171.1 22.59 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.503 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ttp -96.25 83.95 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.831 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t -173.25 162.73 4.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.43 134.05 50.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' VAL . 48.4 t -58.5 113.45 2.0 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.725 HG12 ' CD1' ' A' ' 16' ' ' LEU . 84.0 t -33.94 -42.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.573 ' HB3' HD23 ' A' ' 51' ' ' LEU . 37.9 mtmt -37.3 -49.35 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -63.52 -55.37 24.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.9 m -49.76 -52.15 33.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.725 ' CD1' HG12 ' A' ' 12' ' ' VAL . 23.1 mt -59.73 -43.37 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -44.97 -49.57 11.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -65.08 -25.58 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.439 ' HG2' ' CE1' ' A' ' 87' ' ' TYR . 69.4 mt-30 -82.09 -23.43 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.708 HD11 HG22 ' A' ' 47' ' ' ILE . 32.7 mt -81.52 -37.73 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.735 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -74.23 -42.56 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.631 ' N ' HD12 ' A' ' 21' ' ' LEU . 9.5 pt-20 -56.65 -33.92 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.463 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 62.8 mmm -56.42 -26.45 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -82.83 -50.09 9.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.48 ' HE3' ' CD1' ' A' ' 21' ' ' LEU . 11.1 ptp -59.63 -26.73 65.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.08 -48.77 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' CD2' ' O ' ' A' ' 23' ' ' MET . 10.9 m-85 -55.04 -55.22 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -44.31 -44.59 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.0 mtp -60.34 -39.95 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . 64.9 m-85 -105.13 96.48 11.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.658 0.742 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 53.6 Cg_endo -69.72 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.683 2.256 . . . . 0.0 112.339 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -53.91 105.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -59.95 129.54 42.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.95 -40.25 1.93 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -40.78 -56.16 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.931 HG13 ' CD2' ' A' ' 64' ' ' PHE . 94.1 t -83.09 103.4 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -87.2 103.18 15.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 64' ' ' PHE . 16.4 mt -87.07 104.37 16.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -45.31 -38.69 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -136.89 116.37 12.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.29 -32.85 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -84.48 28.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.11 -42.19 15.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.75 -50.82 31.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.0 m -47.29 -63.06 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -42.85 -62.96 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.708 HG22 HD11 ' A' ' 20' ' ' LEU . 77.1 mt -40.01 -58.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -45.04 -44.19 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -41.92 91.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 53.0 t80 -55.57 -44.94 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' A' ' 13' ' ' LYS . 37.5 mt -53.53 -41.71 66.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -27.14 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.56 -34.61 5.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.3 t -38.65 -35.78 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -113.56 109.55 18.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -74.21 -50.59 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.19 127.0 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.477 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -56.72 121.7 46.4 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.584 0.707 . . . . 0.0 110.88 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.3 Cg_endo -69.86 158.87 55.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.4 30.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.305 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 175.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 19' ' ' GLN . 97.1 mt -104.42 102.89 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -123.15 129.49 51.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' CD2' HG13 ' A' ' 36' ' ' VAL . 17.7 p90 -159.11 178.35 10.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' LEU . 58.6 t -121.58 131.09 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.4 mt -106.51 124.87 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.8 m -82.61 109.02 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.48 ' CD1' HG23 ' A' ' 131' ' ' ILE . 4.5 mm? -78.54 91.71 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -70.54 76.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.434 HD13 ' CD ' ' A' ' 135' ' ' GLN . 43.7 mm -60.96 97.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 70' ' ' ILE . 26.5 mt-10 -36.08 -60.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.8 tt0 -148.63 126.63 5.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.743 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.78 150.86 90.86 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.336 -0.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -72.12 100.71 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.814 HG21 ' CZ ' ' A' ' 142' ' ' PHE . 27.4 m -144.54 149.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -98.12 121.99 40.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 142' ' ' PHE . 78.3 mt -121.02 101.54 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.5 103.79 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.836 HD11 HD22 ' A' ' 94' ' ' LEU . 11.7 tp -94.51 111.14 22.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HA ' HG22 ' A' ' 65' ' ' VAL . 61.4 mt-30 -87.5 95.98 10.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 64' ' ' PHE . 5.8 p -92.01 144.83 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.2 m -141.98 121.12 12.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.448 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 8.0 mtt -110.34 98.34 35.48 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HG3' HD22 ' A' ' 90' ' ' LEU . 53.7 Cg_endo -69.77 171.75 13.91 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -59.57 -14.07 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.498 ' HB3' ' CB ' ' A' ' 90' ' ' LEU . 19.2 m -86.65 -63.12 1.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -32.85 146.56 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.919 -179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.77 -23.91 8.84 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.352 -0.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 88' ' ' PRO . 16.1 m-85 -33.65 -48.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.498 ' CB ' ' HB3' ' A' ' 86' ' ' SER . 3.0 tt -95.3 148.2 22.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.937 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.57 95.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 87' ' ' TYR . 4.0 pp -47.0 174.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -119.15 125.86 50.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.836 HD22 HD11 ' A' ' 79' ' ' LEU . 11.3 mt -123.7 131.39 53.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -138.98 114.04 9.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -113.04 130.16 9.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -128.01 134.26 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.4 t -140.73 163.11 33.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.1 m -53.38 -53.55 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -55.59 -52.51 63.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.402 ' CB ' ' HG3' ' A' ' 106' ' ' GLN . 2.1 mt -75.34 121.14 21.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -118.85 -71.09 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -126.46 -74.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -59.94 -44.25 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.75 -55.34 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' LEU . 30.4 mt-30 -52.03 -62.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' GLN . 19.6 mt -35.67 -55.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' CE1' ' A' ' 141' ' ' TYR . 83.3 mt -50.16 -47.68 54.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 141' ' ' TYR . 6.0 tp -67.52 -57.66 6.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.24 -63.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -39.36 -40.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.83 -47.69 24.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.67 -57.57 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 22.7 p -47.3 -50.21 22.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.3 t -67.24 -41.16 86.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 27.1 t80 -58.02 -42.46 85.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 126' ' ' CYS . 46.0 mm -77.47 -38.02 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -50.67 -28.47 15.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.532 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 66.3 p -67.64 -44.95 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.151 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -38.22 145.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.6 158.16 33.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 117.48 5.11 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.68 -44.73 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 14.2 pt-20 -100.38 176.8 5.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.392 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 41.2 mt -79.71 165.39 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.46 ' HB3' HG23 ' A' ' 117' ' ' ILE . 75.2 m -133.82 -53.34 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 128' ' ' CYS . 12.7 p -44.26 -39.18 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.407 ' N ' HG13 ' A' ' 127' ' ' VAL . 22.1 p -56.5 -40.55 75.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -38.52 59.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.71 -58.14 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.48 HG23 ' CD1' ' A' ' 68' ' ' LEU . 31.5 mt -46.37 -58.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -54.85 -56.89 14.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 116' ' ' TYR . 81.1 t90 -47.52 -59.35 3.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 138' ' ' SER . 13.4 mt -48.01 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.434 ' CD ' HD13 ' A' ' 70' ' ' ILE . 20.2 mm-40 -45.85 -47.8 15.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.39 -43.34 83.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 133' ' ' TRP . 0.8 OUTLIER -117.65 43.65 2.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 134' ' ' LEU . 2.4 t -90.45 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -54.72 -46.27 74.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 139' ' ' ALA . 66.6 m -34.09 -45.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 109' ' ' LEU . 99.7 m-85 -73.63 -63.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.814 ' CZ ' HG21 ' A' ' 75' ' ' VAL . 47.5 m-85 -38.63 -52.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' PHE . 26.7 mt -34.6 -65.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -51.32 98.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 145' ' ' ARG . 14.5 ttp-105 -141.49 131.69 24.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 147' ' ' LEU . 3.7 tppt? -96.53 30.83 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 146' ' ' LYS . 8.9 mp -119.64 124.16 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 91.4 t -101.99 -57.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 82.1 p -96.92 -38.64 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 151' ' ' PRO . . . 89.02 111.85 1.23 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 150' ' ' GLY . 53.8 Cg_endo -69.76 132.91 24.33 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -159.75 115.8 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 45.0 p -85.74 -57.83 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 p 38.82 40.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -59.74 120.27 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.46 91.33 1.14 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -67.54 -52.57 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.8 p -158.31 142.32 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.25 -142.64 3.63 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -129.84 -42.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.19 169.73 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.31 141.73 45.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -80.15 122.64 27.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -41.12 -40.92 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.145 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HG2' ' CE2' ' A' ' 50' ' ' TYR . 29.8 mtmt -38.79 -45.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.17 -65.52 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 85' ' ' HIS . 49.8 m -43.74 -61.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.1 mt -47.67 -45.92 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.83 -46.91 42.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 18' ' ' LEU . 7.0 mp -72.22 -29.45 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.637 ' HB3' HD12 ' A' ' 62' ' ' ILE . 16.0 mt-30 -64.05 -38.73 92.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.506 HD11 ' CG2' ' A' ' 47' ' ' ILE . 64.1 mt -72.68 -33.2 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.07 -56.87 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' OE2' ' HE3' ' A' ' 83' ' ' MET . 2.8 pt-20 -47.43 -36.58 10.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 27' ' ' PHE . 48.5 mmm -57.37 -35.41 69.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -71.58 -38.0 70.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtt -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 66' ' ' ILE . 20.1 mt -63.37 -56.38 16.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 23' ' ' MET . 15.3 m-85 -45.48 -54.16 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -58.9 -41.55 87.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.1 mtm -65.04 -23.01 67.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -121.4 81.16 38.24 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.622 0.725 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -20.81 34.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -85.04 121.75 28.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.0 132.1 51.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.06 -41.84 1.67 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.12 -61.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.78 HG13 ' CD2' ' A' ' 64' ' ' PHE . 22.8 t -93.6 115.59 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -110.6 98.0 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 44' ' ' LEU . 10.7 mt -82.8 131.19 35.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -64.4 -22.03 66.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.888 ' OD2' ' HB2' ' A' ' 43' ' ' ALA . 3.9 p-10 -164.68 124.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.433 HG23 ' ND2' ' A' ' 42' ' ' ASN . 33.4 m -66.42 -20.74 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.433 ' ND2' HG23 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -81.35 -17.13 50.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB2' ' OD2' ' A' ' 40' ' ' ASP . . . -56.11 -31.12 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.436 HD11 HD11 ' A' ' 38' ' ' LEU . 7.6 mt -83.34 -36.74 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ILE . 66.7 m -69.05 -63.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . 75.5 m-20 -36.3 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CG2' HD11 ' A' ' 20' ' ' LEU . 76.4 mt -68.96 -61.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG3' HD13 ' A' ' 20' ' ' LEU . 64.8 mttt -41.46 -30.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -72.51 -42.84 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' CE2' ' HG2' ' A' ' 13' ' ' LYS . 45.1 t80 -57.51 -26.75 61.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.8 -52.09 58.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.44 -13.15 50.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.23 34.53 32.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.4 t -105.38 3.02 29.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.093 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -100.02 136.05 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -88.16 -32.4 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.44 151.96 37.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -62.85 128.06 91.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.887 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.8 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.9 Cg_endo -69.7 159.46 53.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.725 2.283 . . . . 0.0 112.363 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 128.73 16.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.264 . . . . 0.0 112.316 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -53.5 169.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.637 HD12 ' HB3' ' A' ' 19' ' ' GLN . 71.4 mt -94.25 108.04 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -128.86 137.79 51.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.78 ' CD2' HG13 ' A' ' 36' ' ' VAL . 1.8 p90 -165.52 179.69 5.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.58 125.7 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.66 ' CD1' HD22 ' A' ' 26' ' ' LEU . 14.3 mt -107.06 129.96 59.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.7 m -87.64 135.39 33.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -101.33 93.68 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 tp60 -68.93 75.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.7 mm -57.79 107.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -49.89 -54.95 16.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.446 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 4.8 tt0 -145.76 123.46 6.25 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.724 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.9 Cg_endo -69.75 148.58 86.99 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.371 -0.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -66.63 80.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.2 m -126.42 171.31 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -115.44 143.25 45.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.4 mt -145.52 132.62 15.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.65 128.07 44.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.913 HD11 HD22 ' A' ' 94' ' ' LEU . 8.9 tp -114.86 116.72 29.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.552 ' NE2' HH21 ' A' ' 97' ' ' ARG . 21.0 mt-30 -88.27 105.28 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG21 ' CG2' ' A' ' 127' ' ' VAL . 1.9 p -100.35 136.09 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.076 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.3 m -139.94 108.0 5.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.522 ' HE3' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -112.08 117.09 48.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.843 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.63 ' HG3' HD21 ' A' ' 90' ' ' LEU . 54.0 Cg_endo -69.83 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.551 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -84.08 0.39 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.2 t -98.37 -58.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -33.59 150.19 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.698 0.761 . . . . 0.0 110.889 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.1 Cg_endo -69.75 -1.44 6.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.401 -0.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.431 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 4.5 m-30 -39.19 -52.74 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 90' ' ' LEU . 2.4 pp -103.29 -174.06 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.492 ' N ' HD12 ' A' ' 90' ' ' LEU . . . -96.98 97.23 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 92' ' ' LEU . 4.1 pp -46.96 172.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -111.22 133.11 53.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.913 HD22 HD11 ' A' ' 79' ' ' LEU . 6.7 mt -129.03 144.59 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.24 106.02 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.07 125.48 8.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.552 HH21 ' NE2' ' A' ' 80' ' ' GLN . 75.2 mtm180 -130.86 134.64 46.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -140.67 150.54 43.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 87.1 p -63.95 -41.45 97.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -67.33 -49.43 64.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.1 mt -69.9 135.85 49.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.82 173.62 8.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -54.61 -55.93 24.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -53.89 -59.44 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -45.36 -50.14 12.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -50.47 -59.61 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 34.8 mt -39.65 -45.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.03 -44.6 95.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.525 HD12 ' CE1' ' A' ' 141' ' ' TYR . 6.0 tp -65.39 -57.3 8.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -60.87 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -42.38 -49.85 5.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.25 -35.96 91.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.554 HD21 HD13 ' A' ' 94' ' ' LEU . 10.3 tp -71.6 -50.92 26.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 80.5 p -49.98 -47.58 52.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.5 t -60.01 -45.16 93.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.512 ' CG ' ' CD1' ' A' ' 133' ' ' TRP . 53.2 t80 -58.56 -38.78 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' A' ' 130' ' ' ALA . 29.2 mm -78.25 -31.81 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -60.6 -20.71 56.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.8 p -73.92 -39.24 63.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.807 0.336 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -47.13 156.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -108.03 158.12 34.42 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.632 0.729 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 131.7 21.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.42 -33.74 2.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.452 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 9.0 pt-20 -111.29 176.56 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 22' ' ' GLU . 38.4 mt -83.79 152.13 24.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.7 -48.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 81' ' ' VAL . 13.1 p -45.54 -33.82 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 45.5 t -59.18 -41.29 88.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.51 -49.09 35.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.608 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -39.98 -44.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 71.4 mt -51.83 -64.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -57.69 -54.64 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.512 ' CD1' ' CG ' ' A' ' 116' ' ' TYR . 69.7 t90 -41.9 -51.93 4.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 135' ' ' GLN . 3.3 mt -54.27 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 134' ' ' LEU . 47.5 mt-30 -35.03 -61.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.18 -52.96 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -89.54 59.85 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.4 t -128.64 -54.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.58 -38.13 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 t -41.76 -45.64 3.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.525 ' CE1' HD12 ' A' ' 109' ' ' LEU . 52.3 m-85 -72.21 -62.54 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 145' ' ' ARG . 49.4 m-85 -38.28 -41.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 142' ' ' PHE . 16.8 mt -36.42 106.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 61.91 47.31 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.625 ' HD2' HD23 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -56.47 160.19 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.405 ' O ' ' NH1' ' A' ' 145' ' ' ARG . 25.4 tptt -87.56 104.53 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.625 HD23 ' HD2' ' A' ' 145' ' ' ARG . 2.2 pp -126.28 149.19 49.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.2 p -98.92 142.16 15.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.6 m -58.19 148.71 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -152.05 134.0 4.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 170.06 17.44 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 158.42 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 79.5 p -162.71 157.67 22.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.526 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 m -138.5 117.13 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.9 p -93.66 175.0 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.0 -82.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -70.77 -52.54 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.914 0.388 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -157.55 145.4 18.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.31 149.81 21.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.35 -48.95 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.7 t -128.0 125.69 39.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.95 170.12 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.067 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' VAL . 11.3 t -73.11 131.79 42.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 13' ' ' LYS . 42.0 t -36.21 -39.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 12' ' ' VAL . 72.3 mttt -35.8 -66.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -49.23 -51.29 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -49.89 -57.64 7.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.658 HD13 HG23 ' A' ' 47' ' ' ILE . 66.8 mt -55.26 -52.01 64.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.4 -40.33 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 mp -72.96 -37.1 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.785 ' HB3' HD12 ' A' ' 62' ' ' ILE . 67.5 mt-30 -55.04 -40.74 70.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.57 -29.65 62.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 21' ' ' LEU . 5.3 mt -62.18 -55.63 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.658 ' HB3' HD13 ' A' ' 125' ' ' LEU . 2.6 pp20? -60.78 -36.05 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.53 ' HA ' HD12 ' A' ' 26' ' ' LEU . 65.5 mmm -51.27 -50.74 58.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.95 -48.84 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtt -58.72 -36.5 74.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 23' ' ' MET . 16.7 mt -62.37 -48.01 81.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -54.97 -51.13 67.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -61.11 -42.39 98.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 28.7 mtp -62.52 -29.7 70.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -118.38 82.25 18.65 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.638 0.733 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -44.55 2.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -59.99 95.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -41.78 133.69 2.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.74 -45.29 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.97 -69.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 64' ' ' PHE . 61.3 t -78.05 126.87 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -114.26 96.75 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 mt -91.63 107.09 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -53.41 -15.8 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -171.53 111.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.31 -11.72 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -76.07 -11.22 59.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.73 -30.89 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.2 mt -83.38 -36.59 24.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -65.98 -63.0 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -37.33 -47.33 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.658 HG23 HD13 ' A' ' 16' ' ' LEU . 81.0 mt -54.65 -51.05 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -51.15 -19.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.6 mmm-85 -83.34 -34.22 25.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.88 -42.8 72.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.2 mt -51.88 -28.39 16.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -30.14 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.29 28.78 12.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.0 t -96.84 -14.64 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 111.162 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' GLU . 29.6 ttm-85 -122.07 78.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' ARG . 11.4 mm-40 -37.56 -50.54 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.69 120.04 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.739 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -52.13 125.93 34.17 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.607 0.717 . . . . 0.0 110.936 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.739 ' HD2' HD13 ' A' ' 58' ' ' LEU . 53.7 Cg_endo -69.73 159.12 54.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 128.32 15.83 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -55.91 179.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' A' ' 19' ' ' GLN . 91.8 mt -105.52 97.01 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -123.13 133.98 54.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.755 ' O ' HG12 ' A' ' 81' ' ' VAL . 30.8 p90 -163.1 177.98 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.06 129.61 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD11 ' HE2' ' A' ' 64' ' ' PHE . 18.0 mt -107.32 124.96 63.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.522 HG23 ' HG3' ' A' ' 76' ' ' LYS . 98.7 m -84.36 101.61 12.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 68' ' ' LEU . 3.7 mm? -66.05 100.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.72 75.43 4.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.5 mm -55.64 130.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.2 -42.82 68.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 5.6 tt0 -160.94 123.9 1.85 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 53.6 Cg_endo -69.77 140.63 61.71 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.353 0.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -61.22 84.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.99 168.03 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HG3' HG23 ' A' ' 67' ' ' THR . 14.3 ttpp -110.03 142.81 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.8 mt -143.79 114.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -80.48 116.14 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.961 HD11 HD22 ' A' ' 94' ' ' LEU . 11.2 tp -104.58 110.61 22.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -82.82 91.67 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 64' ' ' PHE . 9.7 p -85.03 147.96 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.0 m -141.5 108.83 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.677 ' HE1' HG11 ' A' ' 127' ' ' VAL . 19.6 mtm -107.45 106.36 58.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.457 ' O ' ' NE2' ' A' ' 19' ' ' GLN . 53.8 Cg_endo -69.78 -168.89 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -80.21 -22.8 41.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 90' ' ' LEU . 55.7 m -79.1 -52.74 7.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.588 ' CE2' HD23 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -32.93 146.24 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.685 0.755 . . . . 0.0 110.911 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 53.9 Cg_endo -69.72 -24.8 8.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.342 -0.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.469 ' C ' ' O ' ' A' ' 88' ' ' PRO . 7.3 m-85 -31.76 -41.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.768 HD23 ' N ' ' A' ' 91' ' ' ALA . 6.4 tt -98.55 160.87 13.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.768 ' N ' HD23 ' A' ' 90' ' ' LEU . . . -86.3 96.87 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.588 HD23 ' CE2' ' A' ' 87' ' ' TYR . 3.9 pp -46.44 170.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -116.6 115.85 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.961 HD22 HD11 ' A' ' 79' ' ' LEU . 13.9 mt -111.72 140.89 45.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -150.05 111.8 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -108.33 142.15 15.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -147.46 134.5 20.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.9 m -140.98 168.2 20.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 m -78.23 -53.78 6.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -54.11 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.08 157.57 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -109.04 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -57.02 -50.08 73.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -56.96 -58.49 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -52.16 -58.8 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -39.5 -52.89 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.8 mt -49.1 -41.05 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.52 -44.74 81.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.37 -54.35 38.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -57.36 -63.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -41.24 -48.71 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.0 -44.36 98.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.564 HD21 HD13 ' A' ' 94' ' ' LEU . 13.9 tp -68.82 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.38 . . . . 0.0 110.925 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' LEU . 40.8 p -37.13 -51.1 0.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.7 m -62.16 -46.6 88.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -54.63 -35.07 63.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 130' ' ' ALA . 13.3 mm -81.78 -30.35 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.51 -6.1 53.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.504 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 74.2 p -93.41 -32.56 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -42.85 159.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.433 ' CG ' ' HD2' ' A' ' 122' ' ' PRO . 2.8 t70 -90.76 140.85 26.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.655 0.74 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 121' ' ' ASP . 53.4 Cg_endo -69.77 96.67 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 156.62 -22.68 0.48 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -112.07 174.48 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 22' ' ' GLU . 61.2 mt -78.27 147.98 34.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.423 ' HB3' HG23 ' A' ' 117' ' ' ILE . 3.7 m -124.43 -40.92 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.677 HG11 ' HE1' ' A' ' 83' ' ' MET . 13.3 p -55.15 -29.3 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 30.9 p -64.37 -28.36 69.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -88.52 -48.5 7.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.539 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -41.28 -34.93 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 70.2 mt -65.37 -56.13 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -62.97 -52.84 61.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 69.6 t90 -43.73 -46.84 7.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' GLN . 11.1 mt -63.59 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.95 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' LEU . 42.7 mt-30 -36.83 -48.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.34 -51.97 26.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -89.63 47.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 20.3 t -109.41 -50.39 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.23 -48.63 77.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.8 p -38.94 -40.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -74.71 -55.45 5.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 143' ' ' LEU . 10.1 m-85 -47.5 -54.33 11.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 142' ' ' PHE . 18.3 mt -35.56 107.22 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -164.88 167.42 18.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -110.46 122.61 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm -119.51 148.54 43.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.27 -179.44 4.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 149' ' ' SER . 14.6 p -155.93 156.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 148' ' ' VAL . 22.5 p -122.41 176.46 5.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -139.97 145.97 17.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.82 2.06 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.238 . . . . 0.0 112.308 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 9.2 t -125.7 176.19 7.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 1.6 t -157.57 173.99 16.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.4 t -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -161.63 172.0 17.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.23 179.84 26.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -103.67 93.34 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -124.0 111.37 15.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.92 47.07 6.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -171.98 127.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.349 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -70.69 -64.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.11 171.69 7.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -103.39 129.55 50.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t -38.67 -37.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -47.2 -69.95 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HD23 ' A' ' 18' ' ' LEU . 20.2 mt-10 -45.96 -48.43 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 m -50.63 -69.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.417 HD13 HG23 ' A' ' 47' ' ' ILE . 59.8 mt -39.5 -46.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.484 HE22 HD23 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -46.48 -53.78 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 3.3 mm? -57.87 -29.3 64.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.774 ' HB3' HD12 ' A' ' 62' ' ' ILE . 60.8 mt-30 -75.11 -14.94 60.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 90.1 mt -91.91 -52.53 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -61.08 -30.97 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' N ' HD12 ' A' ' 21' ' ' LEU . 1.8 pp20? -71.16 -29.21 64.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 72.2 mmm -69.12 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' ' CD1' ' A' ' 21' ' ' LEU . 26.4 mtm -79.65 -28.53 40.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -74.72 -48.3 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -48.56 -54.99 12.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 t -52.43 -38.45 59.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 42.0 mtm -68.3 -33.7 74.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.81 80.58 14.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.65 0.738 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -35.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -62.93 95.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -42.91 152.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.99 -42.88 1.81 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.89 -68.3 0.2 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.857 HG13 ' CD2' ' A' ' 64' ' ' PHE . 46.8 t -81.02 106.55 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -95.34 104.67 16.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -93.72 122.06 35.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -52.16 -36.79 52.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.05 127.08 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 m -70.43 -13.46 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -90.44 2.06 56.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.25 99.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mt -71.5 -45.57 62.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 46' ' ' ASN . 95.2 m -59.89 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 45' ' ' THR . 90.8 m-20 -35.25 -45.36 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' TYR . 96.7 mt -58.02 -58.02 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -38.96 -34.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -72.85 -44.93 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 2.8 t80 -58.93 -31.82 69.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 51' ' ' LEU . 12.7 mt -64.22 -33.49 75.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' A' ' 52' ' ' GLU . 2.4 tp10 -74.63 -28.9 61.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.63 30.73 5.45 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -112.4 22.91 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 111.146 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -143.52 122.04 12.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -89.85 -32.52 16.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.73 120.05 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.772 HD13 ' HD2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -47.02 128.6 9.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.772 ' HD2' HD13 ' A' ' 58' ' ' LEU . 54.2 Cg_endo -69.69 159.32 53.91 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.39 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 111.9 2.93 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -43.52 167.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.845 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.774 HD12 ' HB3' ' A' ' 19' ' ' GLN . 81.3 mt -94.14 97.93 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -120.04 127.73 52.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.857 ' CD2' HG13 ' A' ' 36' ' ' VAL . 9.2 p90 -152.94 -178.66 7.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.0 t -125.76 129.56 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.537 HD11 ' HE2' ' A' ' 64' ' ' PHE . 58.9 mt -109.28 127.85 65.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 98.5 m -86.43 111.18 20.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.18 98.32 8.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.28 69.62 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.4 ' N ' HD13 ' A' ' 70' ' ' ILE . 5.5 mm -47.94 114.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -54.67 -59.17 5.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' HA ' ' C ' ' A' ' 73' ' ' PRO . 15.0 tt0 -141.47 121.93 8.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 72' ' ' GLU . 54.1 Cg_endo -69.79 157.76 91.79 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 0.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -77.84 94.98 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.93 164.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -109.97 131.65 54.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 85.4 mt -136.01 117.43 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.28 117.86 20.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.687 HD11 HD22 ' A' ' 94' ' ' LEU . 10.1 tp -107.67 107.9 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -83.59 109.5 17.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 HD21 ' A' ' 94' ' ' LEU . 2.2 p -104.02 129.36 56.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.1 m -127.93 106.85 9.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.08 122.01 55.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.58 0.705 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.643 ' HG3' HD12 ' A' ' 90' ' ' LEU . 54.4 Cg_endo -69.75 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.668 2.246 . . . . 0.0 112.37 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -87.87 -28.42 21.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 87' ' ' TYR . 1.6 m -77.09 -45.43 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.558 ' HA ' ' C ' ' A' ' 88' ' ' PRO . 0.9 OUTLIER -32.32 144.55 0.11 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.693 0.759 . . . . 0.0 110.903 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 87' ' ' TYR . 54.0 Cg_endo -69.72 5.49 3.64 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 -1.796 . . . . 0.0 112.365 -0.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.516 ' N ' ' HA ' ' A' ' 87' ' ' TYR . 79.5 m-85 -80.64 25.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.905 HD13 ' H ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -148.11 161.23 41.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.905 ' H ' HD13 ' A' ' 90' ' ' LEU . . . -87.27 76.43 9.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.081 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.55 HD11 HD12 ' A' ' 94' ' ' LEU . 4.2 pp -41.88 163.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 27.9 tp60 -113.4 124.08 51.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 79' ' ' LEU . 5.6 mt -122.25 122.76 39.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -130.92 113.12 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.35 116.94 5.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -122.27 134.31 54.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.2 p -140.11 139.19 35.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.0 p -55.19 -37.28 66.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.59 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.827 HD22 ' HB3' ' A' ' 105' ' ' GLN . 81.2 mt -57.1 136.42 56.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 103' ' ' ARG . 30.2 m-20 -92.42 163.85 13.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.843 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASP . 22.2 ttm180 -34.34 -56.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -51.93 -56.6 13.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.827 ' HB3' HD22 ' A' ' 101' ' ' LEU . 14.4 mm100 -55.04 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -37.99 -43.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -65.01 -53.97 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.1 mt -53.99 -46.33 71.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.08 -57.5 12.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -52.01 -56.08 16.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -40.79 -45.98 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -66.95 -46.53 72.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 94' ' ' LEU . 11.1 tp -65.07 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.4 p -37.82 -54.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.3 m -68.12 -35.67 78.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 133' ' ' TRP . 50.7 t80 -60.87 -22.64 64.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.92 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.495 HD11 ' HB2' ' A' ' 130' ' ' ALA . 23.3 mm -93.2 -34.43 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -58.89 -15.42 27.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -77.99 -45.79 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 111.149 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -42.07 141.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.3 159.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 131.35 21.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.68 -46.77 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -95.3 160.13 14.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 mt -68.4 155.99 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 69.3 m -125.81 -45.33 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 128' ' ' CYS . 11.2 p -50.64 -41.54 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.453 ' N ' HG13 ' A' ' 127' ' ' VAL . 20.8 t -56.74 -25.62 55.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.01 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.495 ' HB2' HD11 ' A' ' 117' ' ' ILE . . . -48.46 -53.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.9 mt -46.87 -62.81 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -53.97 -47.5 71.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TRP . . . . . 0.503 ' CZ3' ' HB2' ' A' ' 113' ' ' LEU . 90.6 t90 -51.73 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.529 HD11 HD13 ' A' ' 79' ' ' LEU . 10.3 mt -40.97 -61.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 134' ' ' LEU . 25.3 mm-40 -35.66 -49.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.1 -46.59 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -89.73 46.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 1.1 t -117.52 -52.57 2.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 140' ' ' SER . . . -60.46 -49.06 79.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 139' ' ' ALA . 5.1 t -37.13 -36.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -86.72 -47.22 9.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.548 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 23.5 m-85 -67.29 -68.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 13.1 mt 42.91 42.86 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -105.68 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -97.94 119.34 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -131.84 123.61 27.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 2.5 tt -117.04 92.67 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 149' ' ' SER . 19.9 m -109.67 -41.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 148' ' ' VAL . 71.1 m -45.94 137.91 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -138.98 156.51 24.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.431 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 174.39 9.58 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.5 m 62.74 41.12 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 67.1 m -53.71 -55.65 24.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 -179.977 . . . . . . . . 0 0 . 1 stop_ save_