data_2ctd_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 2ctd _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 ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLU . 11.9 mt -65.52 -46.94 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mt-10 -37.69 -49.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.89 -47.7 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.23 -59.36 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -54.03 -39.79 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 85.2 t80 -55.83 -49.27 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.0 mt -53.18 -56.81 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.65 -24.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' GLY . 38.4 mt -88.99 -56.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 1.4 m -60.11 -14.57 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.14 -43.93 5.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -105.06 -51.25 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 134.31 -13.32 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.4 p -152.44 163.18 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.2 p -126.43 143.51 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -92.66 168.83 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.63 124.55 69.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -11.52 31.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.9 m -88.67 -64.78 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -88.12 -38.28 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 63.3 40.16 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.57 -37.59 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -129.28 134.07 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.48 -168.8 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -138.46 166.61 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -62.99 -27.18 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -155.72 -176.52 6.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 36.2 mt -70.86 -56.3 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.9 mt-10 -33.84 -53.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.22 96.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.6 tp -59.03 -52.93 63.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' LEU . 7.6 mtmp? -37.08 -53.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t60 -67.3 -54.14 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 ptp -66.28 -23.68 66.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 1.4 t -52.79 161.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.522 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 29.7 m80 -105.3 -40.28 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -47.82 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.87 -43.83 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.88 32.11 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.0 ttmm -69.55 155.76 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.746 0.307 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.48 108.43 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.8 mt -128.76 144.77 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -63.6 -57.89 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 p -74.09 114.75 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.56 -45.12 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.54 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.35 -46.14 16.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 81' ' ' HIS . 19.3 ttm -63.36 -61.68 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -43.9 -21.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' MET . 40.4 t80 -87.8 -34.16 18.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.638 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -61.14 -23.18 65.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.429 HG21 ' NE2' ' A' ' 81' ' ' HIS . 70.2 t -80.72 -51.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.23 -16.65 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.05 -60.26 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -74.36 -52.07 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.882 0.373 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' GLU . 11.7 mt -71.02 -53.73 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' LEU . 12.0 mt-10 -36.29 -41.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.97 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' LEU . 79.2 mt-30 -57.88 -56.81 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -51.5 -42.28 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 84.4 t80 -54.96 -47.85 73.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.32 -53.77 51.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -46.01 -22.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' GLY . 11.4 mt -91.21 -57.75 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.512 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 1.5 m -57.08 -14.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -100.66 -41.01 7.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -107.56 -53.13 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 141.19 -16.21 2.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -157.52 170.11 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.7 p -123.84 146.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -94.91 157.79 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.1 t -66.78 111.5 7.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.44 12.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -103.41 -57.18 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -95.36 -29.16 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 55.6 46.38 22.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.72 -40.01 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.31 144.84 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -113.57 -178.74 19.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 44' ' ' GLY . 25.5 mmt-85 -135.77 156.66 48.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -53.73 -51.54 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -129.87 166.72 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.5 mt -51.48 -38.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -50.16 -56.92 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.62 -40.2 92.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.61 -54.16 43.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.3 -55.54 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -31.15 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -71.04 -55.11 8.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.5 ptm -66.18 -21.66 66.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 19.1 t -56.34 158.95 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.407 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 71.6 m80 -107.71 -34.52 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -58.31 -56.89 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.0 p -104.07 -46.5 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.56 32.83 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HD3' ' CD1' ' A' ' 72' ' ' LEU . 28.9 tttm -71.95 157.9 37.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.91 105.16 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 70' ' ' LYS . 10.7 mt -128.71 152.65 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -79.19 -55.29 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -75.37 114.97 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.51 -43.22 55.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.17 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.88 -47.21 25.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 81' ' ' HIS . 31.0 ttm -63.19 -62.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -39.68 -29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' MET . 49.0 t80 -77.61 -38.75 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.9 OUTLIER -52.96 -32.37 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.425 HG21 ' NE2' ' A' ' 81' ' ' HIS . 50.5 t -71.84 -50.02 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.27 -20.6 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.12 -61.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -73.4 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 52.0 mt -62.44 -39.94 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' LEU . 36.3 mt-10 -36.7 -59.08 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.71 -56.99 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -49.75 -63.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.559 ' CZ2' ' HE1' ' A' ' 55' ' ' MET . 50.6 m0 -46.75 -47.23 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE2' HG12 ' A' ' 30' ' ' VAL . 71.4 t80 -52.53 -49.95 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -51.6 -52.61 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -48.03 -21.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' GLY . 38.3 mt -92.26 -47.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -66.27 -15.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.3 t0 -99.32 -50.65 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.3 mmpt? -97.3 -44.83 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.76 -14.06 5.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.7 p -155.7 168.36 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 36' ' ' SER . 13.5 p -117.71 147.58 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 35' ' ' VAL . 41.0 t -102.98 162.82 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.7 t -73.76 111.94 14.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -3.92 13.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.2 m -94.44 -51.85 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -112.04 -26.59 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' CYS . 76.6 mt-30 58.65 39.33 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.2 -41.2 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.674 ' CG2' ' CE1' ' A' ' 54' ' ' HIS . 26.7 m -132.2 142.27 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.57 -176.3 18.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.16 147.73 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -41.01 -56.14 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.53 171.54 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -50.3 -54.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ILE . 50.0 mt-10 -37.18 -50.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -64.73 -42.36 97.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 54' ' ' HIS . 7.9 tp -61.57 -51.46 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -45.69 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -64.78 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.674 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 86.1 t60 -75.88 -50.84 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.559 ' HE1' ' CZ2' ' A' ' 25' ' ' TRP . 6.8 ptm -67.41 -28.24 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.6 OUTLIER -60.13 160.83 7.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.502 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 22.4 m170 -100.29 -39.8 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 26.9 m-70 -55.23 -72.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 p -88.61 -47.76 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 40.04 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -79.11 162.78 25.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -134.64 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.8 mt -115.33 141.56 47.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -67.77 -25.7 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.6 t -105.37 150.67 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -84.1 -48.2 10.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.63 -61.31 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.12 -44.86 20.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -64.65 -64.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 78' ' ' MET . 9.6 mtmp? -39.1 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.6 t80 -82.45 -40.08 21.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.632 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.82 -25.07 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -72.99 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -62.68 -23.87 67.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.01 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 81' ' ' HIS . 4.6 m120 -64.26 -61.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 48.9 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.914 0.388 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.55 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 9.4 mt -55.35 -59.22 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 42.9 mt-10 -34.46 -46.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.09 -52.46 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -51.16 -53.52 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.55 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.3 m0 -53.41 -56.43 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.455 ' CE2' HG11 ' A' ' 30' ' ' VAL . 66.1 t80 -38.79 -56.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' ILE . 97.4 mt -47.85 -59.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -40.88 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' LEU . 8.4 mt -90.15 -49.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.8 m -64.8 -15.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -101.52 -33.31 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -113.95 -55.46 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 142.7 -19.75 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 p -148.84 178.16 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 11.7 p -138.2 153.1 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 t -95.59 162.14 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' GLN . 50.0 t -78.65 113.92 38.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -96.07 -50.8 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.3 p -117.92 -26.07 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' CYS . 48.1 mt-30 59.84 44.62 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.74 -34.64 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.07 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -117.01 -176.47 17.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -142.23 152.36 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -61.29 -12.2 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -159.77 -177.09 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 mt -83.05 -46.98 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.1 -40.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -32.84 30.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.43 -48.09 65.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -46.72 -47.04 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -62.27 -35.14 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -71.76 -54.15 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 ptp -63.65 -25.9 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -59.18 162.59 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 34.1 m80 -107.03 -38.71 5.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -52.49 -62.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.37 -43.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.16 44.04 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -86.68 163.18 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.724 0.297 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -134.13 105.76 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.52 128.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -55.67 -42.39 75.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.5 m -89.11 134.78 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -70.66 -56.58 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -39.37 -63.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.22 -43.82 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.544 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 21.7 ttm -64.59 -58.06 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -46.17 -20.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' MET . 14.2 t80 -89.21 -31.4 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.637 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -63.91 -24.24 67.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.436 HG23 ' NE2' ' A' ' 81' ' ' HIS . 87.2 t -75.41 -54.99 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 69.5 mtm -65.53 -9.65 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -59.88 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -82.39 -52.17 7.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 mt -51.82 -35.27 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -50.59 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.79 -50.78 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -59.45 -60.36 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -44.6 -45.76 9.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.477 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 76.6 t80 -56.71 -48.38 77.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -48.97 -54.42 15.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -44.63 -26.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLY . 16.3 mt -83.52 -55.8 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 2.0 m -59.07 -15.79 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -97.86 -43.83 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -109.01 -51.58 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 132.77 -5.0 5.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -157.91 147.4 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.83 136.53 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 t -76.61 170.13 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.64 120.93 64.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.9 15.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -95.19 -62.48 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.14 -28.94 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 57.14 37.96 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.64 -35.45 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.35 175.45 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.65 159.21 28.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -100.69 173.97 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -70.66 -45.44 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.89 -177.62 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 26' ' ' TYR . 6.2 mm -65.15 -53.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -43.59 -59.27 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 45' ' ' ARG . . . -44.72 -43.52 8.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.87 -47.32 85.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 52' ' ' LYS . 1.2 mpmm? -45.99 -58.18 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.9 -31.46 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -71.37 -51.6 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.0 ptm -72.38 -10.77 60.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 18.3 t -63.6 162.21 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.462 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 19.1 m80 -102.83 -37.81 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -60.87 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -101.26 -48.1 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.41 23.99 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -61.96 155.15 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.94 102.75 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.483 HD12 ' CA ' ' A' ' 78' ' ' MET . 22.0 mt -112.45 147.73 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -71.95 -27.33 62.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -112.24 152.33 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -80.11 -42.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.54 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.46 -36.68 3.28 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.532 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 26.0 ttm -67.96 -58.12 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -43.85 -21.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 24.7 t80 -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.56 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -50.07 -33.71 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.463 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 73.6 t -64.94 -42.47 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 45.2 mtm -82.58 18.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.54 -37.76 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.44 -24.38 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 15.1 mt -73.05 -44.65 60.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -41.48 -41.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.27 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -57.01 -54.65 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.419 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.4 m0 -56.93 -35.25 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -59.96 -53.53 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' ILE . 82.3 mt -50.96 -58.99 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.79 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' GLY . 29.8 mt -89.43 -46.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -70.07 -13.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.93 -33.89 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -114.27 -45.29 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 129.87 -16.77 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.4 p -154.77 168.89 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.43 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.9 p -119.79 150.55 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.3 t -100.79 166.64 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' GLN . 47.9 t -76.27 112.26 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.6 m -100.85 -52.53 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -107.52 -24.42 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' CYS . 66.0 mt-30 55.1 40.95 32.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.32 -34.41 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.17 175.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -146.4 175.85 25.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 15.9 mmt180 -132.4 151.95 51.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -46.03 -53.41 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.7 177.73 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLU . 49.3 mt -57.47 -53.88 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ILE . 61.0 mt-10 -37.96 -50.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.53 -58.71 12.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' HIS . 3.6 tp -48.11 -53.33 16.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LEU . 61.6 mttt -37.44 -55.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.32 -34.01 70.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LEU . 82.5 t60 -70.78 -46.25 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.9 ptm -76.28 -8.71 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.34 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -53.21 161.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.498 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 12.3 t60 -103.61 -39.9 6.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -57.53 -69.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -90.18 -44.44 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.41 31.28 4.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -65.79 160.05 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -135.6 106.68 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.2 mt -128.51 150.98 49.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -79.8 -44.27 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 m -86.31 111.78 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 tp -48.07 -46.96 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.47 -72.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.37 -45.14 1.79 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.496 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -62.96 -54.2 42.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -46.8 -24.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -48.01 -35.98 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.457 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 77.2 t -69.67 -42.42 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.4 mtm -82.62 19.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.62 -29.35 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -116.89 -52.57 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.84 -43.13 25.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -45.63 -38.33 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.66 -55.55 22.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.0 -61.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 23.3 m0 -47.23 -49.33 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -48.94 -47.26 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.43 -49.03 77.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.82 -15.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' GLY . 15.5 mt -97.45 -48.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.62 -17.66 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -97.6 -37.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -109.58 -57.29 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 146.22 -16.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.0 p -157.06 169.07 25.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.18 144.14 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.4 t -99.7 150.92 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.12 115.75 11.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -4.15 13.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -95.56 -61.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -99.09 -32.87 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 64.45 37.7 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.15 -35.33 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.02 156.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.74 -171.0 12.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 2.7 mmp_? -145.89 153.58 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -47.25 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.27 155.88 48.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.8 mt -41.62 -51.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ILE . 9.9 pt-20 -36.83 -49.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.39 -54.64 32.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 5.6 tp -53.5 -47.31 69.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -40.88 -53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -58.66 -34.2 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.54 -50.8 33.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.4 ptp -73.1 -22.09 60.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 4.4 t -59.53 160.33 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.467 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 79.2 m-70 -104.91 -37.58 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -54.68 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.82 -46.96 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.14 36.91 2.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -78.45 151.77 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -126.23 103.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.2 mt -117.07 148.07 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -66.95 -55.55 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -81.09 159.82 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 tp -88.05 -52.66 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.3 -58.23 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.47 -44.58 53.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.4 ttm -67.65 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 78' ' ' MET . 25.7 mttt -37.83 -27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -81.26 -43.68 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.63 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -48.6 -25.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG23 ' NE2' ' A' ' 81' ' ' HIS . 73.2 t -75.6 -42.47 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.7 mtm -80.62 14.23 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.35 -55.49 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -85.01 -42.02 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.939 0.399 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 20.8 mt -67.95 -43.11 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -41.84 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -53.6 -52.84 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -47.77 -67.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.478 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 21.5 m0 -46.07 -53.16 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 65.4 t80 -41.09 -47.67 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.6 -54.28 48.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.69 -24.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 33' ' ' GLY . 23.3 mt -90.71 -52.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 1.5 m -62.71 -13.99 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -101.87 -42.21 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -107.76 -47.88 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 137.18 -19.13 3.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -155.0 171.45 19.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.45 142.2 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 t -95.83 165.02 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.09 112.53 15.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.79 9.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -103.15 -59.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.04 -30.52 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 59.27 44.9 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.19 -41.48 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.78 151.86 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.81 -173.4 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -138.27 149.98 46.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -51.34 -50.38 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -126.51 172.68 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLU . 37.8 mt -59.22 -51.49 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ILE . 69.2 mm-40 -37.91 -52.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.18 -55.31 30.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' HIS . 3.7 tp -50.7 -51.87 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 64.5 mttt -41.55 -47.99 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.64 72.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.5 t60 -71.66 -55.04 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' GLU . 9.9 ptm -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 6.6 t -59.49 161.79 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.48 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.8 m170 -103.94 -38.6 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.19 -66.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.85 -47.57 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.75 26.71 4.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -63.84 154.4 33.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -134.9 101.82 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -121.58 152.84 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 m -85.53 121.16 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -56.75 -45.51 81.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 -66.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.15 -46.13 10.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.488 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 27.1 ttm -59.36 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -42.39 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -81.2 -38.93 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.519 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.7 OUTLIER -50.82 -34.45 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 93.6 t -69.52 -45.09 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 mtm -55.23 -19.24 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.4 -67.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.54 -27.35 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.4 mt -41.06 -35.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.75 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -44.18 -49.6 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.89 -62.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.41 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 31.1 m0 -46.46 -43.47 16.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 79.5 t80 -51.55 -53.89 33.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -48.44 -56.46 8.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.63 -31.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.1 mt -83.35 -56.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 1.5 m -57.25 -17.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.9 t0 -97.6 -58.72 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 9.9 mmpt? -90.92 -50.08 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.48 -15.95 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 p -152.26 168.22 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 36' ' ' SER . 11.2 p -121.36 145.43 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.458 ' N ' HG22 ' A' ' 35' ' ' VAL . 27.8 t -93.84 166.36 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.2 t -85.16 118.74 71.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.43 18.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -96.38 -64.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.9 p -88.18 -33.35 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 57.95 39.75 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.09 -42.03 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.17 174.44 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.61 179.95 26.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 21.7 mtp85 -130.75 170.09 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.02 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p -120.79 -175.75 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' GLU . 11.8 mt -78.87 -51.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' ILE . 7.7 mm-40 -35.9 -53.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.418 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -61.78 -39.71 97.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.3 tp -61.81 -51.68 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -41.33 -47.1 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -33.2 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . 8.2 t60 -71.72 -55.4 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ptp -62.58 -25.91 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.888 0.375 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 36.5 t -56.64 161.35 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.6 m-70 -109.1 -34.49 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.54 -49.09 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -112.96 -44.98 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 26.98 5.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -63.8 153.43 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -134.21 102.58 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 78' ' ' MET . 11.3 mt -120.16 167.34 12.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -53.74 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.5 p -85.17 128.77 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.77 -57.34 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -38.86 -60.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.03 -42.28 11.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.0 ttm -71.22 -61.47 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -40.97 -27.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' MET . 8.7 t80 -80.68 -37.69 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.5 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.5 p-80 -52.89 -38.17 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.416 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 60.0 t -63.95 -47.31 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.4 mtm -70.96 -9.64 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.63 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 1.1 p30 -84.52 -54.11 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.418 ' CD2' ' OD1' ' A' ' 85' ' ' ASN . 42.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 22.5 mt -47.69 -38.57 15.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -50.19 -59.6 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.2 -43.61 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.32 -59.21 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.554 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 31.9 m0 -52.53 -37.49 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.432 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 67.0 t80 -57.51 -46.66 83.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.2 mt -50.43 -58.79 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -39.83 -30.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLY . 15.9 mt -80.05 -56.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.432 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 2.3 m -55.07 -18.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -94.08 -56.04 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -95.6 -49.77 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 139.13 -19.39 3.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -155.42 138.71 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 p -88.25 156.86 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.0 t -102.75 162.07 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' GLN . 9.7 t -69.3 111.95 10.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -1.4 8.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.737 2.292 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -106.4 -56.08 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.96 -25.01 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 37' ' ' CYS . 89.2 mt-30 51.36 38.39 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.99 -38.89 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.82 137.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.93 173.56 16.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HG3' ' C ' ' A' ' 50' ' ' GLY . 15.3 mmm180 -126.7 157.28 39.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -58.9 -47.17 85.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.95 -179.85 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLU . 5.5 mm -64.28 -55.69 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.3 mt-10 -36.41 -50.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.4 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -58.05 -51.93 55.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tp -55.4 -56.67 17.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -42.91 -56.42 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.59 -33.22 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.07 -54.14 29.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.61 -25.65 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.7 OUTLIER -45.72 161.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 3.1 t-160 -101.43 -40.12 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -52.22 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -96.4 -47.32 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 38.92 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -78.64 152.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -123.55 111.59 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.72 175.04 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -90.26 -61.11 1.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.1 m -83.34 109.65 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.86 -43.57 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.71 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.16 -39.88 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 81' ' ' HIS . 27.8 ttm -68.41 -63.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -40.95 -23.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 11.2 t80 -84.75 -38.06 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.642 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.17 -29.58 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.484 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 39.6 t -69.19 -64.7 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -57.76 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.28 -72.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -62.02 -61.43 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 18.0 mt -60.92 -45.92 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -43.59 -48.45 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -44.59 87.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.64 -65.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 19.2 m0 -43.45 -49.21 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 81.9 t80 -45.63 -55.33 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -44.58 -58.37 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -39.88 -30.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.4 mt -81.3 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 1.6 m -55.16 -16.37 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -97.87 -55.69 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -93.93 -53.62 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.93 -22.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -158.84 147.47 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 36' ' ' SER . 13.5 p -94.63 143.46 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.441 ' N ' HG21 ' A' ' 35' ' ' VAL . 7.7 t -97.14 159.27 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 t -60.87 113.44 7.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 m -102.71 -59.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -96.29 -28.89 14.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 58.53 42.51 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.23 -42.17 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.62 134.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.16 173.42 14.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 9.8 mtp180 -131.98 157.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -58.65 -48.1 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 p -117.05 171.78 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 49' ' ' GLU . 21.3 mt -73.54 -50.11 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.4 tt0 -32.74 -57.0 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -59.54 -45.41 95.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' HIS . 7.2 tp -56.82 -52.13 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -38.97 -53.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' LEU . 78.8 t60 -68.25 -50.27 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ptp -68.51 -31.65 71.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 3.3 t -57.37 161.98 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.3 p-80 -109.35 -35.96 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -51.6 -48.12 63.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.39 -43.57 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.87 39.23 1.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.451 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.7 ttmm -78.92 154.7 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -131.58 104.51 6.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.69 134.04 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -53.7 -48.82 69.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.4 m -88.81 133.64 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.72 -42.52 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.49 -69.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.82 -42.67 11.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 81' ' ' HIS . 33.5 ttm -63.08 -66.38 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -39.58 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' MET . 25.6 t80 -83.07 -38.59 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.661 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.83 -26.23 57.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.435 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 78.3 t -72.85 -37.9 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 47.1 mtm -84.55 15.73 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.72 -26.8 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -119.75 -37.54 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.49 -48.13 69.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -42.34 -43.44 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -57.8 -48.95 78.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -57.38 -60.19 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -47.54 -45.99 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 78.1 t80 -49.04 -44.91 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.1 mt -53.4 -58.97 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.53 -28.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -82.15 -53.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.518 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 1.9 m -62.88 -12.34 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.62 -44.09 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -107.86 -52.96 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 -20.94 2.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.433 ' HB2' ' C ' ' A' ' 45' ' ' ARG . 90.6 p -153.24 142.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.13 130.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -82.96 150.96 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.6 t -63.31 110.91 4.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 m -101.2 -56.59 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.31 -30.36 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 63.55 41.54 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.49 -44.81 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.28 143.25 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.22 -177.67 19.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.433 ' C ' ' HB2' ' A' ' 34' ' ' SER . 3.6 tpm_? -139.11 129.89 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.403 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -19.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ARG . 13.8 p -141.87 174.51 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' GLU . 6.7 mt -78.81 -48.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' ILE . 5.8 mm-40 -34.05 -66.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.26 46.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' HIS . 7.8 tp -50.25 -54.42 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -43.49 -50.61 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -61.99 -26.3 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 78.8 t60 -79.43 -52.34 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.7 ptm -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -53.05 161.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 47.4 m-70 -104.87 -38.99 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 36.8 m-70 -50.48 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.7 p -100.5 -44.59 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.72 36.05 2.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' CD ' ' HG ' ' A' ' 72' ' ' LEU . 3.4 tmtm? -75.8 152.88 37.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.469 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 69.9 mt-30 -131.81 115.15 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' HG ' ' CD ' ' A' ' 70' ' ' LYS . 65.1 mt -127.57 166.33 18.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -56.39 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.1 p -81.22 110.04 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -41.2 -56.48 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -39.26 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.21 -58.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 6.4 ttm -53.49 -52.05 60.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -47.43 -19.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.67 -40.05 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.643 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.7 -41.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 70.8 mtm -83.49 19.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.57 -21.73 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -126.52 -44.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 29.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -44.12 -45.33 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.47 -52.4 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -49.67 -47.99 49.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -59.14 -63.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.9 m0 -44.31 -43.15 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -49.96 -44.41 50.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' ILE . 13.9 mt -56.31 -55.72 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.8 -26.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 27' ' ' LEU . 26.9 mt -85.62 -55.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.63 -10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.97 -58.21 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -87.18 -41.3 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.08 5.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.3 p -159.35 179.07 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 36' ' ' SER . 11.6 p -126.34 148.81 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.448 ' N ' HG21 ' A' ' 35' ' ' VAL . 26.0 t -105.87 158.14 16.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -67.39 112.34 9.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.2 m -96.92 -60.26 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -97.9 -28.99 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 59.91 42.81 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.86 -47.86 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 m -122.73 139.64 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.72 -168.74 19.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -149.75 142.39 24.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -39.96 -55.05 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -127.35 -179.16 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' GLU . 32.3 mt -63.11 -49.6 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.5 tt0 -37.0 -52.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.76 56.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.59 -52.57 54.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -43.91 -47.93 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -64.26 -36.16 83.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.45 -56.95 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ptp -60.64 -26.92 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.352 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 23.1 t -64.22 161.22 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.44 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 37.7 m170 -106.05 -35.06 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -61.9 -63.03 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.3 p -95.79 -44.91 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.06 28.72 4.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -64.93 151.18 46.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.702 0.287 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -134.83 95.64 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.9 mt -112.75 165.71 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 74' ' ' SER . 1.8 ptp180 -95.98 -31.45 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 84.4 p -94.96 111.49 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -42.4 -65.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -38.4 -68.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.46 -52.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 7.2 ttm -57.74 -51.64 68.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -46.0 -33.29 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.73 -45.18 45.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -44.5 -38.23 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.52 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 87.5 t -68.96 -60.25 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.01 -15.4 22.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -72.84 -48.63 36.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD11 ' CZ2' ' A' ' 25' ' ' TRP . 11.7 mt -63.36 -44.48 94.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -40.59 -40.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -62.14 -49.25 76.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.6 -59.86 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.451 ' CZ2' ' HG3' ' A' ' 38' ' ' PRO . 45.8 m0 -47.92 -28.91 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 87.3 t80 -69.59 -51.66 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 mt -46.85 -50.14 19.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -47.57 -27.49 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.1 mt -83.01 -57.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.521 ' CG1' ' CE2' ' A' ' 26' ' ' TYR . 1.3 m -61.18 -14.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.27 -41.92 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -113.38 -47.31 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.96 -11.44 5.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.4 p -152.42 158.26 42.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 36' ' ' SER . 7.6 p -106.78 137.25 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.43 ' N ' HG23 ' A' ' 35' ' ' VAL . 41.3 t -80.86 152.31 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.55 121.29 84.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.705 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.9 Cg_endo -69.75 -7.13 20.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.399 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -88.57 -65.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.4 -32.8 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.93 35.68 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.49 -46.58 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -124.77 141.92 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.5 161.67 12.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.82 149.17 28.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -42.26 -54.13 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 p -136.26 173.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.447 ' CG2' ' HE3' ' A' ' 52' ' ' LYS . 29.6 mt -54.9 -30.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.45 -54.46 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.51 72.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.49 -59.07 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -49.8 -33.95 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -75.13 -26.41 59.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -85.0 -50.91 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.9 ptm -65.69 -27.41 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -72.11 161.84 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.526 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.2 m80 -105.45 -37.45 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -52.47 -67.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.21 -39.22 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.71 41.93 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -84.78 152.4 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -127.11 109.71 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 HD12 ' CA ' ' A' ' 78' ' ' MET . 96.6 mt -122.75 159.65 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -81.0 -52.76 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -83.73 121.19 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.45 -42.34 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.78 -41.68 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 81' ' ' HIS . 31.0 ttm -67.32 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -39.48 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 48.3 t80 -78.44 -38.91 40.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.646 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -55.82 -28.04 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.434 HG22 ' NE2' ' A' ' 81' ' ' HIS . 70.1 t -81.39 -51.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.83 -9.37 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.0 -65.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -74.15 -48.81 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.54 -52.3 64.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.54 -45.01 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.47 -49.98 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -55.06 -58.3 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' TYR . 35.0 m0 -47.82 -58.06 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CE2' HG13 ' A' ' 30' ' ' VAL . 71.4 t80 -37.2 -50.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.12 -52.89 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.98 -22.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -97.77 -35.16 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.536 HG13 ' CE2' ' A' ' 26' ' ' TYR . 1.3 m -78.33 -12.19 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.83 -53.66 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -89.34 -47.58 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.32 -17.21 4.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.8 m -160.7 145.58 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.71 147.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -103.56 157.12 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 t -64.9 112.42 8.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -1.47 8.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -101.1 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.9 p -98.8 -27.59 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 56.61 41.15 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.92 -43.66 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -133.72 133.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.28 -178.13 19.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -126.99 164.65 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -69.87 -25.38 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.51 171.9 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 49' ' ' GLU . 27.9 mt -69.73 -57.35 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' ILE . 47.2 mt-10 -34.43 -61.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.51 -45.84 75.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.8 tp -57.17 -51.45 69.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -39.91 -50.14 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -60.41 -34.75 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' LEU . 82.2 t60 -68.65 -55.86 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ptp -61.17 -23.22 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.881 0.372 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 17.7 t -58.76 160.83 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.439 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 82.5 t60 -107.38 -37.1 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -58.15 -57.79 11.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.1 -44.86 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.58 26.96 5.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 9.9 tttm -64.75 153.96 38.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -138.83 105.38 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -132.2 142.27 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -76.82 -27.06 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.9 m -98.64 107.03 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 tp -47.3 -43.54 22.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.22 -64.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.27 -44.8 44.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 26.7 ttm -59.1 -57.9 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -45.68 -20.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.27 -38.1 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -50.76 -30.29 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.462 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 86.0 t -72.49 -51.32 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.8 mtm -65.74 -24.09 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.96 -51.48 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 44.8 m-20 -83.83 -59.99 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.939 0.399 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.04 -34.5 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.01 -25.44 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -88.18 -38.78 15.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -58.04 -47.35 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.466 ' CZ2' ' HE1' ' A' ' 55' ' ' MET . 19.0 m0 -56.75 -51.33 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.562 ' CE2' HG13 ' A' ' 30' ' ' VAL . 77.3 t80 -45.24 -48.62 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ILE . 23.3 mt -54.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -37.29 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' GLY . 9.3 mt -85.37 -48.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 26' ' ' TYR . 1.7 m -62.34 -13.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -101.66 -42.27 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -103.97 -52.22 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 139.92 -19.03 2.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.2 p -153.75 155.47 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.82 139.01 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 159.51 15.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.0 t -67.33 112.57 10.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -2.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.4 m -97.3 -57.25 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 p -104.11 -26.2 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' CYS . 82.8 mt-30 57.46 39.41 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.74 -44.81 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.72 138.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.63 177.24 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -132.43 166.26 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -60.01 -47.81 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -135.83 -175.24 3.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.76 -40.4 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.41 -47.42 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.41 75.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 tp -60.76 -43.11 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -49.85 -49.03 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -64.18 -14.72 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -92.62 -50.12 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.466 ' HE1' ' CZ2' ' A' ' 25' ' ' TRP . 8.1 ptm -70.49 -23.38 62.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.93 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.356 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -63.7 161.04 15.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 2.7 t-160 -105.61 -36.73 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -52.33 -66.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.6 p -99.1 -40.14 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.17 41.13 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 4.8 tmtm? -84.56 154.26 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.483 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 28.3 mt-30 -129.77 112.31 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD13 ' CA ' ' A' ' 78' ' ' MET . 24.0 mt -118.76 144.04 46.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -53.06 -54.6 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -89.15 175.98 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.88 -49.21 4.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.38 -66.43 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.19 -51.76 7.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 81' ' ' HIS . 28.4 ttm -56.79 -65.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -40.69 -24.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' MET . 3.0 t80 -84.67 -37.31 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.651 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -57.44 -27.02 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.456 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 91.5 t -72.04 -50.72 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 mtm -68.84 -21.23 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.4 -54.43 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -84.75 -55.88 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mt -45.79 -38.8 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.45 -52.05 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.4 -51.61 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -54.86 -52.38 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.566 ' CZ2' ' HG3' ' A' ' 38' ' ' PRO . 46.5 m0 -58.05 -40.33 80.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 77.6 t80 -55.27 -49.79 71.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' ILE . 14.3 mt -53.95 -56.23 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -42.74 -24.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' GLY . 16.2 mt -92.01 -53.94 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 2.2 m -59.49 -20.98 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' N ' HG21 ' A' ' 30' ' ' VAL . 1.4 t70 -91.3 -47.72 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -102.58 -54.42 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 147.7 -23.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 p -148.38 176.1 10.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -127.14 148.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -100.69 154.07 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLN . 29.9 t -62.44 110.4 3.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.5 Cg_endo -69.77 -6.53 18.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -94.8 -53.21 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.7 p -105.3 -31.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' CYS . 57.1 mt-30 62.52 41.4 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.91 -43.32 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.81 141.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.94 19.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -130.41 153.48 48.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -46.3 -56.18 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -132.86 177.54 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.49 ' CG2' ' HD2' ' A' ' 52' ' ' LYS . 39.3 mt -50.79 -49.39 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -43.81 -54.37 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.99 92.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 tp -65.7 -58.03 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 6.1 mtpp -42.09 -54.28 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -58.25 -32.8 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -72.16 -54.79 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.451 ' CE ' ' CH2' ' A' ' 25' ' ' TRP . 10.0 ptp -64.55 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 10.6 t -49.66 161.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.476 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 5.6 m-70 -107.93 -35.64 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -58.41 -58.91 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.03 -45.8 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.97 32.01 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -68.57 152.49 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -133.27 103.71 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 mt -129.05 130.84 47.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.69 -47.59 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -82.74 113.22 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 tp -49.97 -46.91 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.91 -62.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.94 -43.77 31.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.508 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 35.8 ttm -62.22 -64.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -40.15 -24.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 52.9 t80 -82.79 -39.92 21.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.508 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 0.7 OUTLIER -51.81 -30.92 25.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.438 HG23 ' NE2' ' A' ' 81' ' ' HIS . 46.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.7 mtm -61.92 -21.42 64.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.18 -69.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -71.1 -54.81 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.0 mt -51.12 -32.97 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -53.91 -59.84 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -44.94 -52.55 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.18 -55.37 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 86.9 t80 -49.19 -52.51 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -47.3 -57.5 5.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -40.41 -31.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' GLY . 42.9 mt -81.12 -55.48 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 1.9 m -61.74 -15.13 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -96.93 -46.29 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -106.85 -48.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 133.66 -13.02 4.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -152.87 145.57 24.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 8.3 p -98.69 144.51 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -92.67 169.8 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.4 t -78.67 111.6 20.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.44 ' CD ' HD11 ' A' ' 51' ' ' LEU . 53.7 Cg_endo -69.78 -3.97 13.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -98.16 -50.35 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.3 p -106.72 -29.93 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' CYS . 54.7 mt-30 60.8 43.09 12.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.13 -39.77 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.77 174.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -145.47 162.71 28.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -114.46 171.38 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -58.28 -55.67 31.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -133.09 -175.36 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 mm -54.15 -49.9 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -45.55 -61.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.38 20.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' A' ' 38' ' ' PRO . 6.9 tp -64.78 -38.22 90.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -52.62 -52.0 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -65.55 -13.63 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -89.43 -51.0 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 ptm -71.07 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.337 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 7.1 t -47.83 157.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 49.6 m80 -105.16 -33.1 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.71 -59.14 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.83 -43.46 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.96 33.13 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -78.34 153.86 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.5 mt-30 -129.86 123.5 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HG ' ' CD ' ' A' ' 70' ' ' LYS . 77.9 mt -140.58 126.16 19.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -51.2 -44.57 61.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 t -87.79 149.72 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.2 tp -82.65 -49.55 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.63 -65.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.97 -55.65 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 81' ' ' HIS . 30.4 ttm -52.94 -63.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' CE ' ' A' ' 83' ' ' MET . 5.9 mtpm? -42.14 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.9 t80 -85.51 -36.11 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.66 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -59.46 -26.8 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' HIS . 87.0 t -72.67 -49.4 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 79' ' ' LYS . 4.6 mpp? -68.66 -29.48 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.36 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -87.41 -52.12 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' VAL . 7.7 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.5 mt -50.15 -36.73 31.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.509 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 12.7 mt-10 -51.14 -60.74 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -44.51 -42.6 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.98 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.509 ' CE3' ' HA ' ' A' ' 22' ' ' GLU . 16.5 m0 -48.19 -51.14 26.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.499 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 84.9 t80 -42.26 -48.99 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.6 mt -53.87 -54.86 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -46.29 -23.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.8 mt -90.53 -44.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 1.7 m -68.63 -15.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -102.86 -38.63 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -112.29 -49.6 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.06 -4.12 6.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -164.34 151.97 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.74 151.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -92.52 148.79 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.11 117.52 20.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.78 5.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.1 m -106.88 -57.65 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.8 p -97.72 -30.83 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' NE2' HH22 ' A' ' 73' ' ' ARG . 61.7 mt-30 61.1 44.15 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.94 -47.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.51 151.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.52 -176.37 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -124.01 154.28 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 40.9 mttm -69.76 0.68 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.91 163.25 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -68.2 -62.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -58.73 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.97 -46.85 19.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.1 -32.65 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 26.6 mmtt -58.12 -39.09 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -68.61 -33.14 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -75.98 -51.6 12.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.8 ptm -66.71 -38.3 86.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 6.1 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.24 158.4 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -106.71 -32.67 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.82 -57.45 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.04 -42.6 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.46 31.48 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -72.09 156.53 39.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.289 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -136.61 104.99 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 78' ' ' MET . 14.0 mt -119.28 148.72 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.418 HH22 ' NE2' ' A' ' 41' ' ' GLN . 1.5 ptp180 -78.51 -19.65 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.5 m -111.32 122.72 48.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.85 -44.83 91.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.25 -72.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -39.5 -48.17 2.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.496 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 29.0 ttm -57.77 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -44.72 -26.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -80.74 -38.34 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -53.1 -35.19 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.467 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 96.3 t -63.78 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtm -84.15 25.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.45 -44.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -98.84 -48.37 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.27 -37.99 38.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -46.7 -58.53 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -43.05 -44.78 4.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.61 -64.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.433 ' HB3' ' CG2' ' A' ' 35' ' ' VAL . 27.8 m0 -42.74 -57.44 2.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.47 ' CZ ' HG12 ' A' ' 30' ' ' VAL . 84.3 t80 -37.93 -44.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.75 -49.23 75.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -53.21 -23.59 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.442 ' CD1' HG13 ' A' ' 48' ' ' ILE . 6.6 mt -90.51 -33.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 HG12 ' CZ ' ' A' ' 26' ' ' TYR . 1.5 m -85.7 -15.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -107.32 -52.46 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -89.39 -43.34 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.86 -3.26 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 p -165.64 141.76 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -96.53 137.57 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 35' ' ' VAL . 8.4 t -96.57 154.24 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 t -54.59 119.18 19.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' CG ' ' HE2' ' A' ' 55' ' ' MET . 53.3 Cg_endo -69.74 0.65 5.33 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -112.22 -60.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 p -92.95 -23.01 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.35 44.25 16.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.68 -33.37 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.81 144.34 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.64 -151.36 5.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -152.05 -175.45 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -92.58 31.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -175.02 179.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 HG13 ' CD1' ' A' ' 29' ' ' ILE . 18.1 mt -102.88 -9.0 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.08 -49.99 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.96 -27.25 73.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' HIS . 12.2 tp -76.17 -50.86 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 29.5 mtmt -43.91 -36.3 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.3 -32.92 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.7 t60 -80.86 -50.03 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.464 ' HE2' ' CG ' ' A' ' 38' ' ' PRO . 3.9 ppp? -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.824 0.345 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 5.9 t -61.52 161.34 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.483 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 14.1 m80 -106.85 -38.93 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -54.74 -62.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -99.99 -44.21 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.45 30.0 3.99 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -65.82 152.07 45.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -133.04 100.98 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.5 mt -125.61 144.37 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -72.66 -43.35 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -84.67 121.06 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.96 -45.73 74.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.67 -67.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.28 -39.03 2.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.491 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.9 ttm -71.52 -47.67 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.49 -15.87 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.412 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 26.4 t80 -94.98 -21.5 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.491 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.3 p-80 -69.16 -32.13 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 44.3 t -75.71 -52.13 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 80' ' ' TYR . 25.0 ptp -54.33 -34.8 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.83 -72.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.51 -52.06 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.477 ' HB2' ' CG1' ' A' ' 82' ' ' VAL . 36.2 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -174.84 164.81 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -170.46 161.29 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.18 173.55 35.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -161.66 165.3 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -168.02 171.06 9.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.02 103.6 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -143.01 163.24 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.94 158.24 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -130.33 92.14 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -117.17 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -134.56 152.52 77.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.656 0.741 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.4 57.06 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 169.1 19.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -44.95 -22.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.43 154.03 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.76 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.063 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.63 40.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.71 46.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -122.83 171.3 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLU . 11.9 mt -65.52 -46.94 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mt-10 -37.69 -49.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.89 -47.7 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.23 -59.36 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -54.03 -39.79 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 85.2 t80 -55.83 -49.27 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' ILE . 18.0 mt -53.18 -56.81 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.65 -24.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' GLY . 38.4 mt -88.99 -56.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 1.4 m -60.11 -14.57 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.14 -43.93 5.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -105.06 -51.25 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 134.31 -13.32 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.4 p -152.44 163.18 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.2 p -126.43 143.51 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -92.66 168.83 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.63 124.55 69.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -11.52 31.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.9 m -88.67 -64.78 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -88.12 -38.28 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 63.3 40.16 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.57 -37.59 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -129.28 134.07 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.48 -168.8 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -138.46 166.61 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -62.99 -27.18 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -155.72 -176.52 6.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 36.2 mt -70.86 -56.3 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.9 mt-10 -33.84 -53.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.22 96.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.6 tp -59.03 -52.93 63.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' LEU . 7.6 mtmp? -37.08 -53.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t60 -67.3 -54.14 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 ptp -66.28 -23.68 66.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.79 -23.77 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -123.05 -39.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' GLN . 6.1 t -59.82 -35.24 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -47.12 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' CYS . 39.7 mt-30 -119.55 170.67 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.47 128.34 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 73' ' ' ARG . 3.5 mmt -94.67 157.24 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.03 164.57 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.1 m -157.32 112.69 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 1.4 t -52.79 161.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.522 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 29.7 m80 -105.3 -40.28 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -47.82 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.87 -43.83 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.88 32.11 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.0 ttmm -69.55 155.76 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.746 0.307 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.48 108.43 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.8 mt -128.76 144.77 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' HA ' ' CE ' ' A' ' 62' ' ' MET . 31.7 ttp180 -63.6 -57.89 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 p -74.09 114.75 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.56 -45.12 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.54 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.35 -46.14 16.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 81' ' ' HIS . 19.3 ttm -63.36 -61.68 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -43.9 -21.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' MET . 40.4 t80 -87.8 -34.16 18.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.638 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -61.14 -23.18 65.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.429 HG21 ' NE2' ' A' ' 81' ' ' HIS . 70.2 t -80.72 -51.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.23 -16.65 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.05 -60.26 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -74.36 -52.07 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -89.67 46.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -77.32 99.52 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -117.72 78.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.48 129.78 92.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -130.04 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.35 174.97 34.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 0.06 6.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.74 2.294 . . . . 0.0 112.37 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 p -155.07 167.29 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -92.14 -46.29 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.536 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -172.31 167.57 5.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -166.93 173.8 9.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.47 -179.47 29.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -156.64 176.46 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -174.36 171.23 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -178.4 20.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -151.76 165.77 33.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.26 172.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -130.03 -69.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -150.37 176.97 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.39 131.86 20.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.679 0.752 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 173.42 11.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.1 -38.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.1 164.76 12.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.66 171.62 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.088 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.09 75.2 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 38.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -120.65 179.29 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' GLU . 11.7 mt -71.02 -53.73 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' LEU . 12.0 mt-10 -36.29 -41.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.97 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' LEU . 79.2 mt-30 -57.88 -56.81 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -51.5 -42.28 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 84.4 t80 -54.96 -47.85 73.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.0 mt -55.32 -53.77 51.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -46.01 -22.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 33' ' ' GLY . 11.4 mt -91.21 -57.75 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.512 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 1.5 m -57.08 -14.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -100.66 -41.01 7.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -107.56 -53.13 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 141.19 -16.21 2.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -157.52 170.11 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.7 p -123.84 146.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -94.91 157.79 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.1 t -66.78 111.5 7.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.44 12.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -103.41 -57.18 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -95.36 -29.16 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 55.6 46.38 22.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.72 -40.01 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.31 144.84 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -113.57 -178.74 19.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 44' ' ' GLY . 25.5 mmt-85 -135.77 156.66 48.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -53.73 -51.54 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -129.87 166.72 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.5 mt -51.48 -38.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -50.16 -56.92 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.62 -40.2 92.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tp -62.61 -54.16 43.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.3 -55.54 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -31.15 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -71.04 -55.11 8.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.5 ptm -66.18 -21.66 66.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.52 -40.07 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -108.3 -41.53 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.33 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -173.72 134.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -134.06 71.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -151.98 171.57 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.2 mmm -119.16 -179.86 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -119.68 138.19 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -141.01 118.16 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 19.1 t -56.34 158.95 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.407 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 71.6 m80 -107.71 -34.52 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -58.31 -56.89 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.0 p -104.07 -46.5 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.56 32.83 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.453 ' HD3' ' CD1' ' A' ' 72' ' ' LEU . 28.9 tttm -71.95 157.9 37.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.91 105.16 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 70' ' ' LYS . 10.7 mt -128.71 152.65 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -79.19 -55.29 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -75.37 114.97 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.51 -43.22 55.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.17 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.88 -47.21 25.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 81' ' ' HIS . 31.0 ttm -63.19 -62.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -39.68 -29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' MET . 49.0 t80 -77.61 -38.75 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.9 OUTLIER -52.96 -32.37 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.425 HG21 ' NE2' ' A' ' 81' ' ' HIS . 50.5 t -71.84 -50.02 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.27 -20.6 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.12 -61.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -73.4 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.74 39.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -57.99 147.86 27.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.2 p -118.37 137.47 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.68 152.48 74.56 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 161.62 45.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -78.16 94.02 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.25 174.13 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 172.85 11.95 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' SER . 99.1 p -69.71 -23.49 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' SER . 28.3 t 35.82 46.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.494 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -172.26 168.51 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -174.66 170.86 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.16 -169.15 42.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -171.02 154.85 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -154.77 176.57 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.3 113.76 3.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -101.66 43.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt 39.25 49.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -126.74 94.98 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -164.23 120.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.38 128.26 4.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 167.16 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.48 2.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -43.21 -38.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.06 161.71 21.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.76 159.27 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.89 81.77 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.39 51.37 0.92 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -125.95 165.62 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 52.0 mt -62.44 -39.94 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' LEU . 36.3 mt-10 -36.7 -59.08 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.71 -56.99 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -49.75 -63.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.559 ' CZ2' ' HE1' ' A' ' 55' ' ' MET . 50.6 m0 -46.75 -47.23 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE2' HG12 ' A' ' 30' ' ' VAL . 71.4 t80 -52.53 -49.95 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -51.6 -52.61 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -48.03 -21.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' GLY . 38.3 mt -92.26 -47.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -66.27 -15.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.3 t0 -99.32 -50.65 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.3 mmpt? -97.3 -44.83 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.76 -14.06 5.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.7 p -155.7 168.36 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 36' ' ' SER . 13.5 p -117.71 147.58 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 35' ' ' VAL . 41.0 t -102.98 162.82 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.7 t -73.76 111.94 14.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -3.92 13.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.2 m -94.44 -51.85 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -112.04 -26.59 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' CYS . 76.6 mt-30 58.65 39.33 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.2 -41.2 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.674 ' CG2' ' CE1' ' A' ' 54' ' ' HIS . 26.7 m -132.2 142.27 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.57 -176.3 18.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.16 147.73 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -41.01 -56.14 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.53 171.54 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -50.3 -54.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ILE . 50.0 mt-10 -37.18 -50.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -64.73 -42.36 97.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 54' ' ' HIS . 7.9 tp -61.57 -51.46 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -45.69 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -64.78 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.674 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 86.1 t60 -75.88 -50.84 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.559 ' HE1' ' CZ2' ' A' ' 25' ' ' TRP . 6.8 ptm -67.41 -28.24 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.85 -39.1 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -103.94 -2.36 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.0 t -112.99 20.0 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 173.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.75 142.13 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -48.81 138.93 10.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.6 mtp -120.04 168.77 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -125.26 177.76 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.5 m -161.15 117.84 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.6 OUTLIER -60.13 160.83 7.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.502 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 22.4 m170 -100.29 -39.8 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 26.9 m-70 -55.23 -72.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 p -88.61 -47.76 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 40.04 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -79.11 162.78 25.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -134.64 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.8 mt -115.33 141.56 47.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -67.77 -25.7 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.6 t -105.37 150.67 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -84.1 -48.2 10.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.63 -61.31 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.12 -44.86 20.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -64.65 -64.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 78' ' ' MET . 9.6 mtmp? -39.1 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.6 t80 -82.45 -40.08 21.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.632 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.82 -25.07 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -72.99 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -62.68 -23.87 67.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.01 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 81' ' ' HIS . 4.6 m120 -64.26 -61.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 48.9 m-70 -73.29 -43.57 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' SER . 14.5 p30 39.41 35.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' ASN . 54.3 p -34.59 108.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.46 130.94 87.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.32 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 t -75.45 95.72 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.43 179.05 15.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 174.14 9.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 65.3 m -78.69 152.42 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 t -107.13 144.66 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.45 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m 62.45 42.8 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -70.36 149.44 47.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.39 158.15 19.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -99.93 160.39 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -119.08 -46.37 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.42 -150.05 17.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -146.39 169.02 19.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.64 117.79 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -109.22 129.95 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -92.99 128.77 38.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.18 138.49 27.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.706 0.765 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.0 Cg_endo -69.78 164.9 32.84 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' PRO . 7.9 p -34.1 -40.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -59.77 143.96 49.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.16 172.63 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.45 78.37 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.68 53.82 0.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -133.31 173.39 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.55 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 9.4 mt -55.35 -59.22 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 42.9 mt-10 -34.46 -46.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.09 -52.46 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -51.16 -53.52 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.55 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.3 m0 -53.41 -56.43 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' CE2' HG11 ' A' ' 30' ' ' VAL . 66.1 t80 -38.79 -56.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 29' ' ' ILE . 97.4 mt -47.85 -59.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -40.88 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 27' ' ' LEU . 8.4 mt -90.15 -49.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.8 m -64.8 -15.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -101.52 -33.31 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -113.95 -55.46 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 142.7 -19.75 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 p -148.84 178.16 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 11.7 p -138.2 153.1 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 t -95.59 162.14 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' GLN . 50.0 t -78.65 113.92 38.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -96.07 -50.8 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.3 p -117.92 -26.07 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' CYS . 48.1 mt-30 59.84 44.62 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.74 -34.64 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.07 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -117.01 -176.47 17.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -142.23 152.36 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -61.29 -12.2 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -159.77 -177.09 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 mt -83.05 -46.98 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.1 -40.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -32.84 30.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.43 -48.09 65.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -46.72 -47.04 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -62.27 -35.14 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -71.76 -54.15 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 ptp -63.65 -25.9 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.01 -29.16 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -112.44 -1.98 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.27 12.56 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttt 69.62 53.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -66.84 107.56 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -161.48 144.83 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 mmm -111.36 173.27 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 13.2 m-85 -117.82 128.83 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 m -134.2 112.25 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -59.18 162.59 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 34.1 m80 -107.03 -38.71 5.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -52.49 -62.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.37 -43.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.16 44.04 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -86.68 163.18 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.724 0.297 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -134.13 105.76 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.52 128.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -55.67 -42.39 75.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.5 m -89.11 134.78 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 46.7 tp -70.66 -56.58 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -39.37 -63.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.22 -43.82 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.544 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 21.7 ttm -64.59 -58.06 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -46.17 -20.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' MET . 14.2 t80 -89.21 -31.4 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.637 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -63.91 -24.24 67.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.436 HG23 ' NE2' ' A' ' 81' ' ' HIS . 87.2 t -75.41 -54.99 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 69.5 mtm -65.53 -9.65 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -59.88 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -82.39 -52.17 7.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -86.26 39.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 20.6 t-20 -65.8 108.98 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.2 p -97.45 -37.22 10.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 71.8 mt -54.12 153.78 8.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.594 0.711 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.63 16.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -53.28 145.17 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.07 128.91 2.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.47 63.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -106.04 156.25 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.8 p -79.29 -52.97 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.504 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -93.83 150.03 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -97.68 87.56 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.72 -64.18 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -174.23 176.28 2.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -155.05 138.64 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.77 173.05 45.38 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -149.07 143.96 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 pt -131.24 140.29 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -147.26 128.79 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -105.03 36.28 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -85.51 160.3 54.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.17 18.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.264 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -56.08 -30.72 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' OH ' ' CD1' ' A' ' 26' ' ' TYR . 8.4 m-85 -66.12 134.98 53.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.2 166.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.03 77.62 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.0 -33.42 2.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p -52.46 150.25 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.6 mt -51.82 -35.27 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -50.59 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.79 -50.78 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -59.45 -60.36 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -44.6 -45.76 9.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 76.6 t80 -56.71 -48.38 77.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -48.97 -54.42 15.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -44.63 -26.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 33' ' ' GLY . 16.3 mt -83.52 -55.8 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 2.0 m -59.07 -15.79 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -97.86 -43.83 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -109.01 -51.58 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 132.77 -5.0 5.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -157.91 147.4 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.83 136.53 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 t -76.61 170.13 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.64 120.93 64.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -4.9 15.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -95.19 -62.48 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.14 -28.94 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 57.14 37.96 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.64 -35.45 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.35 175.45 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.65 159.21 28.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -100.69 173.97 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -70.66 -45.44 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.89 -177.62 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 26' ' ' TYR . 6.2 mm -65.15 -53.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -43.59 -59.27 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' C ' ' HG2' ' A' ' 45' ' ' ARG . . . -44.72 -43.52 8.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.87 -47.32 85.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.437 ' N ' ' HE2' ' A' ' 52' ' ' LYS . 1.2 mpmm? -45.99 -58.18 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.9 -31.46 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -71.37 -51.6 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.0 ptm -72.38 -10.77 60.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.86 -39.1 93.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -107.3 -38.35 5.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' GLN . 49.2 t -41.56 -36.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.1 mtpt -33.16 93.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' CYS . 29.3 mt-30 -56.52 108.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -164.03 128.87 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.6 mtp -145.62 174.08 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.49 166.7 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -147.19 129.69 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 18.3 t -63.6 162.21 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.462 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 19.1 m80 -102.83 -37.81 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -60.87 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -101.26 -48.1 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.41 23.99 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -61.96 155.15 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.94 102.75 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD12 ' CA ' ' A' ' 78' ' ' MET . 22.0 mt -112.45 147.73 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -71.95 -27.33 62.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -112.24 152.33 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -80.11 -42.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.54 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.46 -36.68 3.28 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.532 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 26.0 ttm -67.96 -58.12 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -43.85 -21.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 24.7 t80 -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.56 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -50.07 -33.71 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.463 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 73.6 t -64.94 -42.47 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 45.2 mtm -82.58 18.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.54 -37.76 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.44 -24.38 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -104.39 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 74.83 39.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.5 t -165.15 147.61 8.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.95 152.7 37.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.565 0.698 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.28 28.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.231 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 t -112.59 111.65 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.9 -155.64 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.07 13.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.9 m -80.3 -60.26 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 t -158.94 172.51 18.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.507 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -149.72 152.8 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -161.11 177.76 9.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.91 -171.93 27.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -149.61 151.47 33.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -165.58 172.91 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.23 170.87 40.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 8' ' ' ARG . 9.7 ttm105 -171.81 157.12 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 pt -97.63 177.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -115.35 -64.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 132.85 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.77 150.01 78.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.71 69.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.1 5.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -50.61 -48.39 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -48.86 150.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.99 167.28 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.27 40.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.18 46.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -125.63 170.77 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 15.1 mt -73.05 -44.65 60.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -41.48 -41.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.27 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -57.01 -54.65 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.419 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.4 m0 -56.93 -35.25 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -59.96 -53.53 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' ILE . 82.3 mt -50.96 -58.99 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.79 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 33' ' ' GLY . 29.8 mt -89.43 -46.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -70.07 -13.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.93 -33.89 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -114.27 -45.29 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 129.87 -16.77 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.4 p -154.77 168.89 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.43 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.9 p -119.79 150.55 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.3 t -100.79 166.64 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' GLN . 47.9 t -76.27 112.26 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.6 m -100.85 -52.53 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -107.52 -24.42 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' CYS . 66.0 mt-30 55.1 40.95 32.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.32 -34.41 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.17 175.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -146.4 175.85 25.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 15.9 mmt180 -132.4 151.95 51.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -46.03 -53.41 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.7 177.73 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLU . 49.3 mt -57.47 -53.88 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ILE . 61.0 mt-10 -37.96 -50.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.53 -58.71 12.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 54' ' ' HIS . 3.6 tp -48.11 -53.33 16.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LEU . 61.6 mttt -37.44 -55.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.32 -34.01 70.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LEU . 82.5 t60 -70.78 -46.25 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.9 ptm -76.28 -8.71 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.01 -35.83 74.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -113.82 -0.44 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.7 t -103.48 22.06 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -73.51 142.59 46.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.2 175.02 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.57 135.35 34.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -112.16 144.31 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.482 ' N ' ' HG3' ' A' ' 62' ' ' MET . 8.1 m-85 -81.84 136.68 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -141.03 114.91 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -53.21 161.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.498 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 12.3 t60 -103.61 -39.9 6.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -57.53 -69.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -90.18 -44.44 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.41 31.28 4.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -65.79 160.05 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -135.6 106.68 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 68.2 mt -128.51 150.98 49.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -79.8 -44.27 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 m -86.31 111.78 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 63' ' ' PHE . 20.3 tp -48.07 -46.96 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.47 -72.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.37 -45.14 1.79 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.496 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -62.96 -54.2 42.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -46.8 -24.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -48.01 -35.98 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.457 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 77.2 t -69.67 -42.42 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.4 mtm -82.62 19.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.62 -29.35 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -116.89 -52.57 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -72.8 -68.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -99.36 75.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.34 156.91 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.88 129.1 92.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.61 9.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.23 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 t -42.09 -52.63 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.91 -101.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.3 42.6 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -98.48 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.1 t -57.19 -45.98 83.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.457 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -144.64 150.82 38.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.846 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -147.83 163.28 37.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.66 -151.97 5.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -162.58 172.65 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -128.34 174.05 9.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.96 -127.33 3.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -138.89 129.21 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tt -71.85 147.13 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -77.87 132.73 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 146.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.76 126.07 60.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.08 8.74 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG11 ' CD2' ' A' ' 16' ' ' TYR . 7.3 p -40.43 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -101.94 168.79 9.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 174.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.097 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.02 39.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.75 49.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -117.77 176.95 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.84 -43.13 25.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -45.63 -38.33 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.558 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . 14.8 tt0 -63.66 -55.55 22.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.0 -61.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 23.3 m0 -47.23 -49.33 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -48.94 -47.26 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.1 mt -57.43 -49.03 77.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.82 -15.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' GLY . 15.5 mt -97.45 -48.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -65.62 -17.66 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -97.6 -37.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -109.58 -57.29 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 146.22 -16.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.0 p -157.06 169.07 25.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.18 144.14 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.4 t -99.7 150.92 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.12 115.75 11.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -4.15 13.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -95.56 -61.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -99.09 -32.87 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 64.45 37.7 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.15 -35.33 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.02 156.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.74 -171.0 12.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 2.7 mmp_? -145.89 153.58 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -47.25 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.27 155.88 48.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.8 mt -41.62 -51.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ILE . 9.9 pt-20 -36.83 -49.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.39 -54.64 32.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 5.6 tp -53.5 -47.31 69.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -40.88 -53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -58.66 -34.2 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.54 -50.8 33.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.4 ptp -73.1 -22.09 60.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.91 -16.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -132.27 -35.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.6 -46.77 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -42.84 119.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.67 148.77 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.76 139.6 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 mtp -140.14 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -129.41 163.76 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 m -163.97 116.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 4.4 t -59.53 160.33 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.467 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 79.2 m-70 -104.91 -37.58 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -54.68 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.82 -46.96 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.14 36.91 2.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -78.45 151.77 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -126.23 103.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.2 mt -117.07 148.07 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -66.95 -55.55 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -81.09 159.82 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 tp -88.05 -52.66 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.3 -58.23 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.47 -44.58 53.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.4 ttm -67.65 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 78' ' ' MET . 25.7 mttt -37.83 -27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -81.26 -43.68 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.63 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -48.6 -25.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG23 ' NE2' ' A' ' 81' ' ' HIS . 73.2 t -75.6 -42.47 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.7 mtm -80.62 14.23 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.35 -55.49 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -85.01 -42.02 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' SER . 18.2 m-70 -85.8 -47.79 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' HIS . 11.2 t-20 34.38 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' HIS . 56.7 p -107.4 114.45 28.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.66 131.51 21.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.31 59.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.302 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 t -55.65 99.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.45 125.83 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.37 28.46 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.5 m -102.77 124.97 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -122.45 95.51 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -173.12 146.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -160.86 169.98 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.78 170.47 42.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -170.44 159.6 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -173.71 169.11 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.48 127.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -123.33 112.86 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 tt -80.37 128.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -148.77 114.81 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -161.47 108.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -133.33 152.97 80.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 143.17 50.18 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -174.52 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.632 2.222 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.73 -32.43 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.74 139.98 58.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 172.21 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.92 77.78 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 45.94 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -128.61 177.74 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 20.8 mt -67.95 -43.11 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -41.84 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -53.6 -52.84 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -47.77 -67.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.478 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 21.5 m0 -46.07 -53.16 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.503 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 65.4 t80 -41.09 -47.67 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.6 -54.28 48.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.69 -24.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 33' ' ' GLY . 23.3 mt -90.71 -52.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 1.5 m -62.71 -13.99 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -101.87 -42.21 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -107.76 -47.88 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 137.18 -19.13 3.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -155.0 171.45 19.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.45 142.2 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 t -95.83 165.02 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.09 112.53 15.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.79 9.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -103.15 -59.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.04 -30.52 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 59.27 44.9 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.19 -41.48 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.78 151.86 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.81 -173.4 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -138.27 149.98 46.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -51.34 -50.38 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -126.51 172.68 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLU . 37.8 mt -59.22 -51.49 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ILE . 69.2 mm-40 -37.91 -52.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.18 -55.31 30.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' HIS . 3.7 tp -50.7 -51.87 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 64.5 mttt -41.55 -47.99 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.64 72.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.5 t60 -71.66 -55.04 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' GLU . 9.9 ptm -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mm-40 -34.2 -39.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -13.23 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' MET . 42.1 t -106.5 22.84 15.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -89.81 37.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -143.98 -177.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -118.95 137.38 53.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mtp -150.98 178.71 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -134.2 174.31 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m -154.56 122.25 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 6.6 t -59.49 161.79 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.48 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.8 m170 -103.94 -38.6 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.19 -66.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.85 -47.57 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.75 26.71 4.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.4 tttm -63.84 154.4 33.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -134.9 101.82 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -121.58 152.84 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 m -85.53 121.16 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -56.75 -45.51 81.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 -66.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.15 -46.13 10.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.488 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 27.1 ttm -59.36 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -42.39 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -81.2 -38.93 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.519 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.7 OUTLIER -50.82 -34.45 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 93.6 t -69.52 -45.09 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 mtm -55.23 -19.24 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.4 -67.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.54 -27.35 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ASN . 11.6 m-70 -134.39 -173.39 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.5 m120 34.16 48.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -170.35 141.81 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -99.3 127.84 33.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.19 67.93 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.9 t -68.68 174.02 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.34 113.98 2.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 95' ' ' SER . 54.0 Cg_endo -69.77 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -61.68 75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' PRO . 60.5 p -120.72 153.47 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -115.25 166.57 11.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -164.54 170.05 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.96 -153.4 6.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -136.32 144.07 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -157.8 151.34 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.25 86.82 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.15 111.19 23.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.4 mt -124.86 147.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' LYS . 12.9 mmm180 -114.7 50.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' ARG . 9.2 pttt 34.42 37.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' ARG . 48.1 mt-10 -74.29 122.34 87.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.88 69.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -176.38 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.02 -44.56 62.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.51 163.49 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.84 170.98 15.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.63 47.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.55 39.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 p -116.64 149.92 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.4 mt -41.06 -35.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.75 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -44.18 -49.6 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.89 -62.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.41 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 31.1 m0 -46.46 -43.47 16.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 79.5 t80 -51.55 -53.89 33.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -48.44 -56.46 8.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.63 -31.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.1 mt -83.35 -56.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 1.5 m -57.25 -17.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.9 t0 -97.6 -58.72 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 9.9 mmpt? -90.92 -50.08 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.48 -15.95 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 p -152.26 168.22 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 36' ' ' SER . 11.2 p -121.36 145.43 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.458 ' N ' HG22 ' A' ' 35' ' ' VAL . 27.8 t -93.84 166.36 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.2 t -85.16 118.74 71.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.43 18.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 59' ' ' LYS . 7.4 m -96.38 -64.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.9 p -88.18 -33.35 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 57.95 39.75 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.09 -42.03 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.17 174.44 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.61 179.95 26.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 21.7 mtp85 -130.75 170.09 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.02 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 p -120.79 -175.75 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 49' ' ' GLU . 11.8 mt -78.87 -51.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' ILE . 7.7 mm-40 -35.9 -53.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.418 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -61.78 -39.71 97.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.3 tp -61.81 -51.68 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -41.33 -47.1 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -33.2 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . 8.2 t60 -71.72 -55.4 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ptp -62.58 -25.91 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.21 -47.78 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -36.74 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -58.0 -43.76 86.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 39' ' ' THR . 18.5 ttpt -41.89 111.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -89.15 -176.75 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.598 ' O ' ' CZ ' ' A' ' 63' ' ' PHE . 8.6 pt-20 -113.71 -174.68 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.491 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 70.2 mmm -60.84 167.3 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' GLU . 11.4 m-85 -144.38 -179.95 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -164.87 117.4 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 36.5 t -56.64 161.35 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.6 m-70 -109.1 -34.49 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.54 -49.09 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -112.96 -44.98 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 26.98 5.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -63.8 153.43 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -134.21 102.58 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 78' ' ' MET . 11.3 mt -120.16 167.34 12.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -53.74 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.5 p -85.17 128.77 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.77 -57.34 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -38.86 -60.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.03 -42.28 11.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.5 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.0 ttm -71.22 -61.47 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -40.97 -27.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' MET . 8.7 t80 -80.68 -37.69 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.5 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.5 p-80 -52.89 -38.17 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.416 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 60.0 t -63.95 -47.31 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.4 mtm -70.96 -9.64 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.63 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 1.1 p30 -84.52 -54.11 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.418 ' CD2' ' OD1' ' A' ' 85' ' ' ASN . 42.6 m-70 -82.8 54.45 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.7 111.94 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -79.52 110.04 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tp -132.74 128.35 20.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.34 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.1 m -143.15 148.98 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 167.48 98.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.19 2.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -52.97 121.33 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.5 p -98.29 163.15 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.476 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -124.89 111.51 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -81.84 103.97 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.86 164.9 11.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -48.23 130.91 16.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -99.32 81.09 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.46 132.56 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.89 162.19 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.13 123.33 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -97.36 -49.06 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -129.65 110.0 11.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.61 143.8 26.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.64 51.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.66 12.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 p -44.53 -42.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CE1' HG13 ' A' ' 48' ' ' ILE . 1.9 m-85 -57.55 154.34 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.67 167.69 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.18 77.54 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.86 54.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.28 168.33 20.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 22.5 mt -47.69 -38.57 15.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -50.19 -59.6 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.2 -43.61 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.32 -59.21 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.554 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 31.9 m0 -52.53 -37.49 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.432 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 67.0 t80 -57.51 -46.66 83.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.2 mt -50.43 -58.79 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -39.83 -30.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLY . 15.9 mt -80.05 -56.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.432 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 2.3 m -55.07 -18.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -94.08 -56.04 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -95.6 -49.77 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 139.13 -19.39 3.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -155.42 138.71 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.6 p -88.25 156.86 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.0 t -102.75 162.07 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 41' ' ' GLN . 9.7 t -69.3 111.95 10.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -1.4 8.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.737 2.292 . . . . 0.0 112.322 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -106.4 -56.08 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.96 -25.01 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 37' ' ' CYS . 89.2 mt-30 51.36 38.39 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.99 -38.89 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.82 137.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.93 173.56 16.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HG3' ' C ' ' A' ' 50' ' ' GLY . 15.3 mmm180 -126.7 157.28 39.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -58.9 -47.17 85.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.95 -179.85 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLU . 5.5 mm -64.28 -55.69 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.3 mt-10 -36.41 -50.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.4 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -58.05 -51.93 55.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 tp -55.4 -56.67 17.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -42.91 -56.42 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HD3' ' C ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.59 -33.22 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.07 -54.14 29.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.61 -25.65 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -52.94 -36.11 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.69 -43.2 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -43.73 -72.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' SG ' ' A' ' 58' ' ' CYS . 17.5 tppt? -169.16 146.68 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -130.06 2.48 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.978 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -145.76 124.17 12.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 mtp -146.34 171.44 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 1.1 m-85 -131.92 146.43 52.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m -144.04 115.83 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.7 OUTLIER -45.72 161.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 3.1 t-160 -101.43 -40.12 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -52.22 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -96.4 -47.32 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 38.92 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -78.64 152.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -123.55 111.59 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.8 mt -118.72 175.04 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -90.26 -61.11 1.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.1 m -83.34 109.65 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.0 tp -40.86 -43.57 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.71 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.16 -39.88 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 81' ' ' HIS . 27.8 ttm -68.41 -63.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -40.95 -23.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 11.2 t80 -84.75 -38.06 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.642 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.17 -29.58 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.484 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 39.6 t -69.19 -64.7 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -57.76 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.28 -72.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -62.02 -61.43 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -68.1 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.4 t30 65.33 43.85 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.5 t -137.51 112.28 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -46.3 138.9 6.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.28 60.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 t -91.14 96.92 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.81 129.8 22.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -173.33 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.1 t -108.43 131.83 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.0 m -84.41 164.13 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.509 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 61.16 44.52 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -163.64 142.4 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.07 122.74 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -154.12 133.13 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -161.71 170.55 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -83.75 21.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -73.75 131.35 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -145.22 138.15 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -174.18 145.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -172.09 151.53 2.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.729 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 145.22 56.82 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.01 7.34 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.6 -37.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.56 158.33 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 174.39 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.11 40.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.49 42.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -124.35 164.21 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 18.0 mt -60.92 -45.92 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -43.59 -48.45 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -44.59 87.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.64 -65.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 19.2 m0 -43.45 -49.21 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.473 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 81.9 t80 -45.63 -55.33 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -44.58 -58.37 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -39.88 -30.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.4 mt -81.3 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 1.6 m -55.16 -16.37 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -97.87 -55.69 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -93.93 -53.62 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.93 -22.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -158.84 147.47 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 36' ' ' SER . 13.5 p -94.63 143.46 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.441 ' N ' HG21 ' A' ' 35' ' ' VAL . 7.7 t -97.14 159.27 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 t -60.87 113.44 7.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 59' ' ' LYS . 27.2 m -102.71 -59.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -96.29 -28.89 14.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 58.53 42.51 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.23 -42.17 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.62 134.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.16 173.42 14.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 9.8 mtp180 -131.98 157.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -58.65 -48.1 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 p -117.05 171.78 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 49' ' ' GLU . 21.3 mt -73.54 -50.11 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.4 tt0 -32.74 -57.0 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -59.54 -45.41 95.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' HIS . 7.2 tp -56.82 -52.13 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -38.97 -53.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' LEU . 78.8 t60 -68.25 -50.27 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ptp -68.51 -31.65 71.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -45.25 -46.83 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -101.72 -22.1 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 49.0 t -94.68 28.0 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' C ' HG23 ' A' ' 39' ' ' THR . 11.4 pttp -66.46 -3.18 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 61' ' ' GLU . 1.4 tp-100 -117.63 144.87 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 13.1 mt-10 -55.09 149.44 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.7 mmm -135.61 178.17 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' CD2' HD11 ' A' ' 75' ' ' LEU . 4.8 m-85 -120.71 167.68 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.9 m -164.4 115.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 3.3 t -57.37 161.98 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.3 p-80 -109.35 -35.96 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -51.6 -48.12 63.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.39 -43.57 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.87 39.23 1.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.451 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.7 ttmm -78.92 154.7 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -131.58 104.51 6.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.6 mt -122.69 134.04 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -53.7 -48.82 69.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.4 m -88.81 133.64 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 63' ' ' PHE . 5.9 tp -69.72 -42.52 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.49 -69.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.82 -42.67 11.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 81' ' ' HIS . 33.5 ttm -63.08 -66.38 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -39.58 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' MET . 25.6 t80 -83.07 -38.59 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.661 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.83 -26.23 57.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.435 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 78.3 t -72.85 -37.9 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 47.1 mtm -84.55 15.73 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.72 -26.8 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -119.75 -37.54 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -102.13 102.41 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 74.93 47.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 t -127.97 -50.75 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -79.85 150.23 71.94 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.29 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -153.37 171.87 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.18 121.92 12.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 102.07 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -119.04 125.74 50.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 m -169.23 156.68 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.465 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -173.19 146.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -94.89 165.23 12.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 95.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -166.12 133.91 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -125.07 -55.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.26 163.32 12.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -154.54 155.81 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -129.32 136.37 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -108.49 93.43 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -156.22 146.06 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.475 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 tt0 -160.06 141.04 9.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.709 0.766 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 12' ' ' GLU . 53.7 Cg_endo -69.79 167.74 23.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.5 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 16' ' ' TYR . 6.0 p -45.55 -27.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.431 ' CD2' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -124.56 166.91 15.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.78 166.84 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.08 49.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -138.91 167.34 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.49 -48.13 69.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -42.34 -43.44 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -57.8 -48.95 78.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -57.38 -60.19 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.6 m0 -47.54 -45.99 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 78.1 t80 -49.04 -44.91 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.1 mt -53.4 -58.97 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.53 -28.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.1 mt -82.15 -53.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 1.9 m -62.88 -12.34 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.62 -44.09 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -107.86 -52.96 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 -20.94 2.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.433 ' HB2' ' C ' ' A' ' 45' ' ' ARG . 90.6 p -153.24 142.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.13 130.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -82.96 150.96 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.6 t -63.31 110.91 4.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 m -101.2 -56.59 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.31 -30.36 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 63.55 41.54 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.49 -44.81 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.28 143.25 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.22 -177.67 19.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.433 ' C ' ' HB2' ' A' ' 34' ' ' SER . 3.6 tpm_? -139.11 129.89 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.403 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -19.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.406 ' N ' ' C ' ' A' ' 45' ' ' ARG . 13.8 p -141.87 174.51 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' GLU . 6.7 mt -78.81 -48.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' ILE . 5.8 mm-40 -34.05 -66.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.26 46.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' HIS . 7.8 tp -50.25 -54.42 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -43.49 -50.61 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -61.99 -26.3 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.463 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 78.8 t60 -79.43 -52.34 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.7 ptm -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.5 -42.43 54.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 54' ' ' HIS . 0.2 OUTLIER -103.39 -21.87 13.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 42.3 t -86.13 26.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -78.93 109.65 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 38.2 tt0 -124.09 155.57 38.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 3.1 tp10 -122.14 137.62 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.46 ' HE2' ' NE2' ' A' ' 71' ' ' GLN . 26.4 ptm -121.71 178.82 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.6 m-85 -135.47 -178.94 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.5 m -158.8 111.96 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -53.05 161.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 47.4 m-70 -104.87 -38.99 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.42 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 36.8 m-70 -50.48 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.7 p -100.5 -44.59 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.72 36.05 2.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' CD ' ' HG ' ' A' ' 72' ' ' LEU . 3.4 tmtm? -75.8 152.88 37.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.469 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 69.9 mt-30 -131.81 115.15 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' HG ' ' CD ' ' A' ' 70' ' ' LYS . 65.1 mt -127.57 166.33 18.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -56.39 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.1 p -81.22 110.04 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 31.7 tp -41.2 -56.48 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -39.26 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.21 -58.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 6.4 ttm -53.49 -52.05 60.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -47.43 -19.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.67 -40.05 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.643 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.7 -41.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.423 ' C ' ' HB2' ' A' ' 88' ' ' SER . 70.8 mtm -83.49 19.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.57 -21.73 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -126.52 -44.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.42 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 29.6 m-70 -86.07 -71.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.29 46.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.423 ' HB2' ' C ' ' A' ' 83' ' ' MET . 1.1 t -143.73 142.46 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mp -101.62 138.41 19.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.62 7.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.2 p -67.03 121.25 15.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.53 -118.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 85.08 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -56.77 128.92 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -101.06 113.94 27.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.49 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -170.49 140.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -121.42 137.05 54.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.89 100.04 0.14 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.918 0.39 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.1 p -118.33 144.92 45.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.01 163.36 20.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -113.62 114.87 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -65.17 95.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.54 161.74 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -138.22 170.87 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -140.33 137.67 18.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 149.46 66.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.21 19.41 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.1 p -37.54 -46.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -91.35 175.78 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.95 7.37 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.6 42.45 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.89 -36.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -56.67 172.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -44.12 -45.33 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.47 -52.4 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -49.67 -47.99 49.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -59.14 -63.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.9 m0 -44.31 -43.15 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -49.96 -44.41 50.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' ILE . 13.9 mt -56.31 -55.72 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.8 -26.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 27' ' ' LEU . 26.9 mt -85.62 -55.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -63.63 -10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.97 -58.21 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -87.18 -41.3 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.08 5.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.3 p -159.35 179.07 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 ' N ' ' A' ' 36' ' ' SER . 11.6 p -126.34 148.81 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.448 ' N ' HG21 ' A' ' 35' ' ' VAL . 26.0 t -105.87 158.14 16.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -67.39 112.34 9.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.2 m -96.92 -60.26 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -97.9 -28.99 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 59.91 42.81 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.86 -47.86 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 m -122.73 139.64 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.72 -168.74 19.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -149.75 142.39 24.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -39.96 -55.05 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -127.35 -179.16 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' GLU . 32.3 mt -63.11 -49.6 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.5 tt0 -37.0 -52.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.76 56.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 tp -52.59 -52.57 54.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -43.91 -47.93 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -64.26 -36.16 83.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.45 -56.95 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ptp -60.64 -26.92 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.6 -22.6 62.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -131.79 13.3 4.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.0 t -121.16 -29.54 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -45.5 91.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.6 tp-100 -47.07 169.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -76.8 175.11 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 mtp -124.84 170.37 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.433 ' CE2' HD13 ' A' ' 75' ' ' LEU . 35.2 m-85 -126.75 158.01 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.7 m -152.68 124.29 7.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 23.1 t -64.22 161.22 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 37.7 m170 -106.05 -35.06 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -61.9 -63.03 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.3 p -95.79 -44.91 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.06 28.72 4.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -64.93 151.18 46.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.702 0.287 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -134.83 95.64 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.9 mt -112.75 165.71 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 74' ' ' SER . 1.8 ptp180 -95.98 -31.45 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 84.4 p -94.96 111.49 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 63' ' ' PHE . 22.2 tp -42.4 -65.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -38.4 -68.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.46 -52.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 7.2 ttm -57.74 -51.64 68.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -46.0 -33.29 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.73 -45.18 45.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -44.5 -38.23 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.52 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 87.5 t -68.96 -60.25 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.01 -15.4 22.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -72.84 -48.63 36.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -85.8 36.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.61 109.37 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -118.41 170.65 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.16 146.71 35.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.556 0.693 . . . . 0.0 110.928 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.15 2.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.9 p -70.42 -52.7 20.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.93 -104.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.31 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 m -107.68 -56.74 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -116.64 139.98 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.416 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -153.29 159.19 42.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -173.76 173.46 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 102.65 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -145.61 118.96 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -173.06 153.01 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.86 -158.42 28.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.97 125.36 47.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mm -86.44 92.96 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.52 130.74 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -129.6 94.78 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -174.9 141.45 0.7 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 157.18 61.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.86 3.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -47.81 -41.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' OH ' ' CD1' ' A' ' 26' ' ' TYR . 7.2 m-85 -58.28 169.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.4 160.38 29.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.24 41.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.4 47.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -139.02 169.67 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD11 ' CZ2' ' A' ' 25' ' ' TRP . 11.7 mt -63.36 -44.48 94.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -40.59 -40.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -62.14 -49.25 76.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.6 -59.86 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.451 ' CZ2' ' HG3' ' A' ' 38' ' ' PRO . 45.8 m0 -47.92 -28.91 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.538 ' CD1' ' OH ' ' A' ' 16' ' ' TYR . 87.3 t80 -69.59 -51.66 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 mt -46.85 -50.14 19.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -47.57 -27.49 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.1 mt -83.01 -57.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.521 ' CG1' ' CE2' ' A' ' 26' ' ' TYR . 1.3 m -61.18 -14.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.27 -41.92 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -113.38 -47.31 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.96 -11.44 5.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.4 p -152.42 158.26 42.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 36' ' ' SER . 7.6 p -106.78 137.25 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.43 ' N ' HG23 ' A' ' 35' ' ' VAL . 41.3 t -80.86 152.31 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.55 121.29 84.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.705 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.451 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.9 Cg_endo -69.75 -7.13 20.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.399 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -88.57 -65.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.4 -32.8 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.93 35.68 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.49 -46.58 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -124.77 141.92 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.5 161.67 12.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.82 149.17 28.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -42.26 -54.13 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 p -136.26 173.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.447 ' CG2' ' HE3' ' A' ' 52' ' ' LYS . 29.6 mt -54.9 -30.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.45 -54.46 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.51 72.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.49 -59.07 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -49.8 -33.95 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -75.13 -26.41 59.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -85.0 -50.91 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.9 ptm -65.69 -27.41 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 mm-40 -55.36 -43.79 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -96.47 -40.89 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' LYS . 2.4 t -54.08 -31.57 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.3 mmmt -35.1 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 60' ' ' GLN . 2.7 pp0? -79.24 54.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -83.95 126.15 32.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.405 ' C ' ' CD1' ' A' ' 63' ' ' PHE . 9.4 ptm -156.16 178.25 10.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 5.2 m-85 -143.72 157.52 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.2 m -151.46 126.43 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -72.11 161.84 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.526 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.2 m80 -105.45 -37.45 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -52.47 -67.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.21 -39.22 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.71 41.93 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -84.78 152.4 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -127.11 109.71 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 HD12 ' CA ' ' A' ' 78' ' ' MET . 96.6 mt -122.75 159.65 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -81.0 -52.76 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -83.73 121.19 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.45 -42.34 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.78 -41.68 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 81' ' ' HIS . 31.0 ttm -67.32 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -39.48 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 48.3 t80 -78.44 -38.91 40.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.646 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -55.82 -28.04 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.434 HG22 ' NE2' ' A' ' 81' ' ' HIS . 70.1 t -81.39 -51.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.83 -9.37 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.0 -65.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -74.15 -48.81 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -86.67 34.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -66.6 87.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -132.86 165.74 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 pp -48.3 149.92 2.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 88.45 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.5 p -85.4 -175.23 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.04 132.83 2.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.3 p -153.64 137.27 16.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.4 p -86.37 175.54 8.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.5 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -101.65 167.81 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -80.55 -45.62 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.05 61.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -105.15 122.87 46.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.46 -58.62 6.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.5 -155.23 7.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -112.36 155.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.84 -17.87 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -128.07 92.63 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -114.26 121.9 45.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -157.39 145.27 14.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.47 9.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.51 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.0 p -50.93 -41.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -56.45 150.74 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.08 148.27 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.36 47.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.03 38.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -132.89 166.33 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.54 -52.3 64.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.54 -45.01 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.47 -49.98 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -55.06 -58.3 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' TYR . 35.0 m0 -47.82 -58.06 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CE2' HG13 ' A' ' 30' ' ' VAL . 71.4 t80 -37.2 -50.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.12 -52.89 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.98 -22.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mt -97.77 -35.16 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG13 ' CE2' ' A' ' 26' ' ' TYR . 1.3 m -78.33 -12.19 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.83 -53.66 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -89.34 -47.58 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.32 -17.21 4.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.8 m -160.7 145.58 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.71 147.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -103.56 157.12 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 t -64.9 112.42 8.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -1.47 8.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -101.1 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.9 p -98.8 -27.59 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 56.61 41.15 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.92 -43.66 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -133.72 133.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.28 -178.13 19.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -126.99 164.65 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -69.87 -25.38 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.51 171.9 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 49' ' ' GLU . 27.9 mt -69.73 -57.35 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' ILE . 47.2 mt-10 -34.43 -61.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.51 -45.84 75.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.8 tp -57.17 -51.45 69.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -39.91 -50.14 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -60.41 -34.75 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' LEU . 82.2 t60 -68.65 -55.86 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ptp -61.17 -23.22 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -41.3 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -96.7 -12.42 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.1 t -94.27 16.02 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 149.47 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.8 133.11 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.3 tp10 -120.95 155.62 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' GLU . 23.4 mtp -34.44 138.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -121.37 177.59 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 m -157.4 117.86 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 17.7 t -58.76 160.83 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.439 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 82.5 t60 -107.38 -37.1 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -58.15 -57.79 11.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.1 -44.86 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.58 26.96 5.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 9.9 tttm -64.75 153.96 38.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -138.83 105.38 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -132.2 142.27 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -76.82 -27.06 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.9 m -98.64 107.03 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 tp -47.3 -43.54 22.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.22 -64.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.27 -44.8 44.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 26.7 ttm -59.1 -57.9 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -45.68 -20.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.27 -38.1 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -50.76 -30.29 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.462 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 86.0 t -72.49 -51.32 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.8 mtm -65.74 -24.09 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.96 -51.48 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 44.8 m-20 -83.83 -59.99 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -83.42 41.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.04 94.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -125.24 80.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 pp -111.72 148.79 39.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.74 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 92' ' ' GLY . 87.4 p -34.88 -49.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 91' ' ' SER . . . -32.49 96.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' SER . 53.9 Cg_endo -69.71 171.22 14.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.1 p -107.87 158.26 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -57.71 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 p -167.03 161.01 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -168.21 166.01 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.9 160.46 17.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -174.88 173.46 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -172.2 172.23 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.23 135.44 1.93 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -142.17 133.49 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.4 mm -136.53 117.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -114.66 143.49 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -167.11 163.29 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.24 114.58 8.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.33 68.95 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 173.22 11.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.377 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -37.03 -44.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.0 167.13 10.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.44 170.74 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 43.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.92 47.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -118.64 160.58 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.04 -34.5 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.01 -25.44 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -88.18 -38.78 15.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -58.04 -47.35 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.466 ' CZ2' ' HE1' ' A' ' 55' ' ' MET . 19.0 m0 -56.75 -51.33 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.562 ' CE2' HG13 ' A' ' 30' ' ' VAL . 77.3 t80 -45.24 -48.62 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ILE . 23.3 mt -54.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -37.29 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' GLY . 9.3 mt -85.37 -48.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 26' ' ' TYR . 1.7 m -62.34 -13.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -101.66 -42.27 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -103.97 -52.22 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 139.92 -19.03 2.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.2 p -153.75 155.47 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.82 139.01 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 159.51 15.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 41' ' ' GLN . 46.0 t -67.33 112.57 10.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -2.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.466 ' CG2' ' HA ' ' A' ' 59' ' ' LYS . 61.4 m -97.3 -57.25 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 p -104.11 -26.2 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' CYS . 82.8 mt-30 57.46 39.41 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.74 -44.81 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.72 138.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.63 177.24 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -132.43 166.26 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -60.01 -47.81 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -135.83 -175.24 3.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -67.76 -40.4 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.41 -47.42 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.41 75.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 tp -60.76 -43.11 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -49.85 -49.03 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -64.18 -14.72 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -92.62 -50.12 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.466 ' HE1' ' CZ2' ' A' ' 25' ' ' TRP . 8.1 ptm -70.49 -23.38 62.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HG3' ' ND2' ' A' ' 57' ' ' ASN . 17.5 pt-20 -50.86 -41.54 58.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.447 ' ND2' ' HG3' ' A' ' 56' ' ' GLU . 71.0 m-80 -103.59 -36.45 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 t -64.09 -55.23 23.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' THR . 0.3 OUTLIER -42.03 109.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -88.69 173.6 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.86 156.67 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.2 mtp -148.02 175.55 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 22.2 m-85 -143.54 178.51 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -164.38 121.78 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -63.7 161.04 15.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 2.7 t-160 -105.61 -36.73 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -52.33 -66.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.6 p -99.1 -40.14 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.17 41.13 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 4.8 tmtm? -84.56 154.26 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.483 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 28.3 mt-30 -129.77 112.31 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD13 ' CA ' ' A' ' 78' ' ' MET . 24.0 mt -118.76 144.04 46.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -53.06 -54.6 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -89.15 175.98 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 58.7 tp -99.88 -49.21 4.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.38 -66.43 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.19 -51.76 7.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 81' ' ' HIS . 28.4 ttm -56.79 -65.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -40.69 -24.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' MET . 3.0 t80 -84.67 -37.31 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.651 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -57.44 -27.02 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.456 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 91.5 t -72.04 -50.72 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 mtm -68.84 -21.23 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.4 -54.43 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -84.75 -55.88 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -85.66 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER -70.61 116.45 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m -118.18 167.2 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 pp -44.74 144.87 1.71 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.1 Cg_endo -69.73 -176.81 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' PRO . 3.4 m -34.2 123.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.38 -137.33 4.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 139.2 39.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -72.88 153.59 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.7 m -155.29 137.06 14.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.487 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -166.01 121.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.842 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -165.52 141.68 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.56 65.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -39.87 116.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -94.91 148.39 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.94 -123.97 2.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.9 147.71 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.8 pt -128.77 129.31 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -148.35 140.06 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.2 165.82 15.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -150.49 151.26 30.62 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 127.47 14.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.386 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.73 163.33 38.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' PRO . 7.6 p -33.82 -40.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -56.41 146.08 25.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -45.88 152.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.99 44.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.82 51.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.54 166.9 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.8 mt -45.79 -38.8 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.45 -52.05 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.4 -51.61 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -54.86 -52.38 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.566 ' CZ2' ' HG3' ' A' ' 38' ' ' PRO . 46.5 m0 -58.05 -40.33 80.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 77.6 t80 -55.27 -49.79 71.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 29' ' ' ILE . 14.3 mt -53.95 -56.23 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -42.74 -24.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' GLY . 16.2 mt -92.01 -53.94 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 2.2 m -59.49 -20.98 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' N ' HG21 ' A' ' 30' ' ' VAL . 1.4 t70 -91.3 -47.72 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -102.58 -54.42 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 147.7 -23.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 p -148.38 176.1 10.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -127.14 148.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -100.69 154.07 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLN . 29.9 t -62.44 110.4 3.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.5 Cg_endo -69.77 -6.53 18.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 60' ' ' GLN . 5.0 m -94.8 -53.21 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.7 p -105.3 -31.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' CYS . 57.1 mt-30 62.52 41.4 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.91 -43.32 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.81 141.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.94 19.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -130.41 153.48 48.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -46.3 -56.18 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -132.86 177.54 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.49 ' CG2' ' HD2' ' A' ' 52' ' ' LYS . 39.3 mt -50.79 -49.39 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -43.81 -54.37 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.99 92.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 tp -65.7 -58.03 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HD2' ' CG2' ' A' ' 48' ' ' ILE . 6.1 mtpp -42.09 -54.28 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -58.25 -32.8 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -72.16 -54.79 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.451 ' CE ' ' CH2' ' A' ' 25' ' ' TRP . 10.0 ptp -64.55 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.74 -47.42 59.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.21 -44.06 7.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.07 -64.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 73' ' ' ARG . 47.8 tttt -174.06 164.78 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' O ' ' CG2' ' A' ' 39' ' ' THR . 49.4 mt-30 -98.52 176.68 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -47.89 172.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.431 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 46.7 mtp -96.75 -178.53 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 62' ' ' MET . 7.7 m-85 -136.31 167.9 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 m -157.78 112.79 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 10.6 t -49.66 161.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.476 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 5.6 m-70 -107.93 -35.64 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -58.41 -58.91 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.03 -45.8 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.97 32.01 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -68.57 152.49 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -133.27 103.71 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 mt -129.05 130.84 47.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.441 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 8.9 ptm180 -60.69 -47.59 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -82.74 113.22 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 tp -49.97 -46.91 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.91 -62.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.94 -43.77 31.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.508 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 35.8 ttm -62.22 -64.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -40.15 -24.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 52.9 t80 -82.79 -39.92 21.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.508 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 0.7 OUTLIER -51.81 -30.92 25.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.438 HG23 ' NE2' ' A' ' 81' ' ' HIS . 46.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.7 mtm -61.92 -21.42 64.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.18 -69.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -71.1 -54.81 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.86 44.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -76.38 91.38 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -53.67 -46.5 70.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.6 mt -55.95 124.39 58.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 170.72 15.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 t -118.44 -54.35 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.28 137.01 2.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.89 4.1 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -134.8 132.34 38.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.3 m -159.68 156.08 27.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.512 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -110.85 108.22 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -87.36 130.41 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 77.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -58.77 139.11 56.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -166.78 150.13 6.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.83 142.09 22.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -81.13 116.63 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -85.89 -24.64 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -162.18 169.22 21.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -152.91 135.76 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.99 133.52 67.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 120.35 7.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 16' ' ' TYR . 14.0 p -43.02 -49.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' N ' ' CG1' ' A' ' 15' ' ' VAL . 12.3 m-85 -47.38 134.5 11.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.15 141.24 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 80.03 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.76 -39.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.8 p -51.21 150.51 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.0 mt -51.12 -32.97 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -53.91 -59.84 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -44.94 -52.55 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.18 -55.37 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 86.9 t80 -49.19 -52.51 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -47.3 -57.5 5.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -40.41 -31.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' GLY . 42.9 mt -81.12 -55.48 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG13 ' CZ ' ' A' ' 26' ' ' TYR . 1.9 m -61.74 -15.13 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -96.93 -46.29 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -106.85 -48.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 133.66 -13.02 4.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -152.87 145.57 24.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 8.3 p -98.69 144.51 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -92.67 169.8 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.4 t -78.67 111.6 20.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.44 ' CD ' HD11 ' A' ' 51' ' ' LEU . 53.7 Cg_endo -69.78 -3.97 13.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -98.16 -50.35 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.3 p -106.72 -29.93 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' CYS . 54.7 mt-30 60.8 43.09 12.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.13 -39.77 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.77 174.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -145.47 162.71 28.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -114.46 171.38 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -58.28 -55.67 31.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -133.09 -175.36 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 mm -54.15 -49.9 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -45.55 -61.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.38 20.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD11 ' CD ' ' A' ' 38' ' ' PRO . 6.9 tp -64.78 -38.22 90.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -52.62 -52.0 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 12.1 ttpt -65.55 -13.63 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -89.43 -51.0 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 ptm -71.07 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 19.4 pt-20 -48.98 -41.89 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 53' ' ' LYS . 5.0 p30 -101.87 -20.55 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.87 24.6 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -67.71 -175.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -92.57 104.12 16.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -124.0 169.28 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.7 mmt -37.32 153.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 64' ' ' THR . 21.3 m-85 -118.3 16.22 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' PHE . 16.9 m -35.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 7.1 t -47.83 157.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 49.6 m80 -105.16 -33.1 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.71 -59.14 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.83 -43.46 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.96 33.13 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -78.34 153.86 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.5 mt-30 -129.86 123.5 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HG ' ' CD ' ' A' ' 70' ' ' LYS . 77.9 mt -140.58 126.16 19.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -51.2 -44.57 61.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 t -87.79 149.72 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.2 tp -82.65 -49.55 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.63 -65.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.97 -55.65 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.499 ' O ' ' N ' ' A' ' 81' ' ' HIS . 30.4 ttm -52.94 -63.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' CE ' ' A' ' 83' ' ' MET . 5.9 mtpm? -42.14 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.9 t80 -85.51 -36.11 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.66 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -59.46 -26.8 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' HIS . 87.0 t -72.67 -49.4 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 79' ' ' LYS . 4.6 mpp? -68.66 -29.48 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.36 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -87.41 -52.12 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' VAL . 7.7 m-70 -89.9 41.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -51.1 107.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.5 t -164.8 106.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.4 151.87 7.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -77.76 146.7 35.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.86 175.97 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.03 3.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -98.23 179.29 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -83.77 177.23 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -125.06 132.09 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -88.39 -51.0 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.66 12.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -169.17 169.21 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -156.81 170.83 21.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.42 77.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -87.9 134.46 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -122.72 146.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -168.65 147.41 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -138.57 155.43 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -112.14 122.01 37.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.742 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 164.56 34.18 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -176.48 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.86 -22.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.34 156.82 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -48.7 163.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.49 73.68 10.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.88 51.36 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t -122.05 173.89 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.5 mt -50.15 -36.73 31.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.509 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 12.7 mt-10 -51.14 -60.74 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -44.51 -42.6 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.98 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.509 ' CE3' ' HA ' ' A' ' 22' ' ' GLU . 16.5 m0 -48.19 -51.14 26.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 84.9 t80 -42.26 -48.99 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.6 mt -53.87 -54.86 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -46.29 -23.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.8 mt -90.53 -44.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 26' ' ' TYR . 1.7 m -68.63 -15.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -102.86 -38.63 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -112.29 -49.6 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.06 -4.12 6.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -164.34 151.97 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.74 151.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -92.52 148.79 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.11 117.52 20.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.78 5.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.1 m -106.88 -57.65 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.8 p -97.72 -30.83 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' NE2' HH22 ' A' ' 73' ' ' ARG . 61.7 mt-30 61.1 44.15 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.94 -47.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.51 151.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.52 -176.37 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -124.01 154.28 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 40.9 mttm -69.76 0.68 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.91 163.25 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -68.2 -62.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -58.73 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.97 -46.85 19.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.1 -32.65 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 26.6 mmtt -58.12 -39.09 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -68.61 -33.14 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -75.98 -51.6 12.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.8 ptm -66.71 -38.3 86.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 6.1 mm-40 -40.7 -33.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -105.03 -32.01 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.74 -58.06 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -40.78 127.38 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' GLU . 14.0 mt-30 -92.99 164.38 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' GLN . 13.9 tt0 -37.03 131.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.6 mmm -112.12 169.25 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -143.6 160.85 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -151.31 113.85 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.24 158.4 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -106.71 -32.67 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.82 -57.45 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.04 -42.6 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.46 31.48 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -72.09 156.53 39.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.289 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -136.61 104.99 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 78' ' ' MET . 14.0 mt -119.28 148.72 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.418 HH22 ' NE2' ' A' ' 41' ' ' GLN . 1.5 ptp180 -78.51 -19.65 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.5 m -111.32 122.72 48.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.85 -44.83 91.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.25 -72.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -39.5 -48.17 2.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.496 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 29.0 ttm -57.77 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -44.72 -26.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -80.74 -38.34 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -53.1 -35.19 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.467 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 96.3 t -63.78 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtm -84.15 25.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.45 -44.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -98.84 -48.37 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -79.89 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m120 61.38 41.93 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -45.95 -41.88 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.1 mt -106.62 127.49 28.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -148.14 168.82 21.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.56 135.56 5.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 176.74 6.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -82.39 -41.43 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -155.94 167.42 30.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.506 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p 45.32 42.1 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -67.07 140.71 57.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.95 115.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -70.45 131.45 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -88.12 144.56 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 70.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -135.36 117.96 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -71.29 174.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 4.4 ptp180 -129.51 136.06 49.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -162.51 144.55 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -142.83 153.87 61.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.666 0.746 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.44 65.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 p -57.48 -13.97 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.62 147.73 27.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -43.43 163.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.97 77.47 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 49.66 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t -124.08 169.4 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.27 -37.99 38.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -46.7 -58.53 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -43.05 -44.78 4.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.61 -64.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.433 ' HB3' ' CG2' ' A' ' 35' ' ' VAL . 27.8 m0 -42.74 -57.44 2.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.47 ' CZ ' HG12 ' A' ' 30' ' ' VAL . 84.3 t80 -37.93 -44.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.75 -49.23 75.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -53.21 -23.59 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.442 ' CD1' HG13 ' A' ' 48' ' ' ILE . 6.6 mt -90.51 -33.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 HG12 ' CZ ' ' A' ' 26' ' ' TYR . 1.5 m -85.7 -15.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -107.32 -52.46 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -89.39 -43.34 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.86 -3.26 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 p -165.64 141.76 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -96.53 137.57 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 35' ' ' VAL . 8.4 t -96.57 154.24 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 t -54.59 119.18 19.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' CG ' ' HE2' ' A' ' 55' ' ' MET . 53.3 Cg_endo -69.74 0.65 5.33 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 59' ' ' LYS . 48.1 m -112.22 -60.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 p -92.95 -23.01 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.35 44.25 16.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.68 -33.37 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.81 144.34 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.64 -151.36 5.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -152.05 -175.45 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -92.58 31.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -175.02 179.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 HG13 ' CD1' ' A' ' 29' ' ' ILE . 18.1 mt -102.88 -9.0 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.08 -49.99 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.96 -27.25 73.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' HIS . 12.2 tp -76.17 -50.86 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 29.5 mtmt -43.91 -36.3 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.3 -32.92 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.7 t60 -80.86 -50.03 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.464 ' HE2' ' CG ' ' A' ' 38' ' ' PRO . 3.9 ppp? -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 3.9 mm-40 -45.76 -52.0 11.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -87.87 -22.23 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 50.5 t -94.39 22.41 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' C ' HG23 ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.63 -6.75 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -122.52 120.12 32.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 62' ' ' MET . 1.8 tp10 -168.75 142.01 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.415 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 49.8 mtp -48.68 144.35 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -106.98 176.0 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.6 m -163.66 121.84 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 5.9 t -61.52 161.34 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.483 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 14.1 m80 -106.85 -38.93 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -54.74 -62.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -99.99 -44.21 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.45 30.0 3.99 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -65.82 152.07 45.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -133.04 100.98 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.5 mt -125.61 144.37 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -72.66 -43.35 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -84.67 121.06 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.96 -45.73 74.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.67 -67.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.28 -39.03 2.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.491 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.9 ttm -71.52 -47.67 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.49 -15.87 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.412 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 26.4 t80 -94.98 -21.5 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.491 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.3 p-80 -69.16 -32.13 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 86' ' ' HIS . 44.3 t -75.71 -52.13 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.412 ' CE ' ' HA ' ' A' ' 80' ' ' TYR . 25.0 ptp -54.33 -34.8 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.83 -72.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.51 -52.06 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.477 ' HB2' ' CG1' ' A' ' 82' ' ' VAL . 36.2 m-70 -94.43 51.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 1.7 p30 -80.35 44.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 t -118.3 86.2 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 pp -101.05 119.0 59.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.711 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.0 Cg_endo -69.77 -47.25 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 90' ' ' PRO . 25.2 p -35.98 125.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.09 94.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 175.0 8.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -61.5 106.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 p -125.5 160.59 29.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLU . 11.9 mt -65.52 -46.94 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mt-10 -37.69 -49.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.89 -47.7 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.23 -59.36 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.614 ' HB3' HG21 ' A' ' 35' ' ' VAL . 18.5 m0 -54.03 -39.79 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.727 ' CE2' HG11 ' A' ' 30' ' ' VAL . 85.2 t80 -55.83 -49.27 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' HG22 ' A' ' 30' ' ' VAL . 18.0 mt -53.18 -56.81 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.65 -24.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 47' ' ' THR . 38.4 mt -88.99 -56.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.727 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.4 m -60.11 -14.57 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.14 -43.93 5.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -105.06 -51.25 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 134.31 -13.32 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.4 p -152.44 163.18 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 25' ' ' TRP . 12.2 p -126.43 143.51 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -92.66 168.83 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.63 124.55 69.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -11.52 31.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.9 m -88.67 -64.78 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -88.12 -38.28 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 63.3 40.16 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.57 -37.59 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -129.28 134.07 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.48 -168.8 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -138.46 166.61 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -62.99 -27.18 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.613 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.1 p -155.72 -176.52 6.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.477 HG22 ' HG3' ' A' ' 52' ' ' LYS . 36.2 mt -70.86 -56.3 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.9 mt-10 -33.84 -53.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.22 96.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.6 tp -59.03 -52.93 63.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HG3' HG22 ' A' ' 48' ' ' ILE . 7.6 mtmp? -37.08 -53.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' LEU . 26.0 t-80 -67.3 -54.14 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 ptp -66.28 -23.68 66.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 1.4 t -52.79 161.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.522 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 29.7 m80 -105.3 -40.28 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -47.82 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.87 -43.83 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.88 32.11 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.0 ttmm -69.55 155.76 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.746 0.307 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.48 108.43 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.409 HD11 ' HD3' ' A' ' 70' ' ' LYS . 51.8 mt -128.76 144.77 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -63.6 -57.89 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 p -74.09 114.75 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.56 -45.12 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.54 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.35 -46.14 16.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -63.36 -61.68 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -43.9 -21.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' MET . 40.4 t80 -87.8 -34.16 18.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.638 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -61.14 -23.18 65.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.2 t -80.72 -51.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.23 -16.65 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.05 -60.26 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -74.36 -52.07 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.882 0.373 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD21 ' NH2' ' A' ' 73' ' ' ARG . 11.7 mt -71.02 -53.73 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' LEU . 12.0 mt-10 -36.29 -41.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.97 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 27' ' ' LEU . 79.2 mt-30 -57.88 -56.81 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CZ2' HD13 ' A' ' 21' ' ' LEU . 26.8 m0 -51.5 -42.28 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 30' ' ' VAL . 84.4 t80 -54.96 -47.85 73.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 24' ' ' GLN . 16.0 mt -55.32 -53.77 51.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -46.01 -22.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 26' ' ' TYR . 11.4 mt -91.21 -57.75 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -57.08 -14.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -100.66 -41.01 7.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -107.56 -53.13 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.5 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 141.19 -16.21 2.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -157.52 170.11 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.7 p -123.84 146.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -94.91 157.79 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 12.1 t -66.78 111.5 7.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HD2' HD11 ' A' ' 51' ' ' LEU . 54.1 Cg_endo -69.76 -3.44 12.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -103.41 -57.18 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -95.36 -29.16 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 55.6 46.38 22.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.72 -40.01 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.31 144.84 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -113.57 -178.74 19.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 44' ' ' GLY . 25.5 mmt-85 -135.77 156.66 48.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -53.73 -51.54 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -129.87 166.72 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.5 mt -51.48 -38.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -50.16 -56.92 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.62 -40.2 92.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.628 HD11 ' HD2' ' A' ' 38' ' ' PRO . 5.5 tp -62.61 -54.16 43.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.962 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.3 -55.54 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -31.15 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -71.04 -55.11 8.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.5 ptm -66.18 -21.66 66.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 19.1 t -56.34 158.95 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.407 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 71.6 m80 -107.71 -34.52 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -58.31 -56.89 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.0 p -104.07 -46.5 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.56 32.83 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HD3' HD11 ' A' ' 72' ' ' LEU . 28.9 tttm -71.95 157.9 37.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.91 105.16 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.566 HD11 ' HD3' ' A' ' 70' ' ' LYS . 10.7 mt -128.71 152.65 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.523 ' NH2' HD21 ' A' ' 21' ' ' LEU . 72.2 mtp180 -79.19 -55.29 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -75.37 114.97 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.51 -43.22 55.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.17 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.88 -47.21 25.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 81' ' ' HIS . 31.0 ttm -63.19 -62.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -39.68 -29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' MET . 49.0 t80 -77.61 -38.75 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.9 OUTLIER -52.96 -32.37 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -50.02 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.27 -20.6 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.12 -61.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -73.4 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 52.0 mt -62.44 -39.94 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' LEU . 36.3 mt-10 -36.7 -59.08 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.71 -56.99 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 27' ' ' LEU . 71.1 mt-30 -49.75 -63.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -46.75 -47.23 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 30' ' ' VAL . 71.4 t80 -52.53 -49.95 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HA ' HG22 ' A' ' 30' ' ' VAL . 24.1 mt -51.6 -52.61 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -48.03 -21.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 47' ' ' THR . 38.3 mt -92.26 -47.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -66.27 -15.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.3 t0 -99.32 -50.65 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.3 mmpt? -97.3 -44.83 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.76 -14.06 5.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.7 p -155.7 168.36 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.5 p -117.71 147.58 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -102.98 162.82 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.51 ' HA ' HD11 ' A' ' 51' ' ' LEU . 46.7 t -73.76 111.94 14.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.4 Cg_endo -69.79 -3.92 13.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.2 m -94.44 -51.85 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -112.04 -26.59 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' CYS . 76.6 mt-30 58.65 39.33 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.2 -41.2 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.541 ' CG2' ' CE1' ' A' ' 54' ' ' HIS . 26.7 m -132.2 142.27 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.57 -176.3 18.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.16 147.73 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -41.01 -56.14 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.648 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -130.53 171.54 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -50.3 -54.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ILE . 50.0 mt-10 -37.18 -50.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -64.73 -42.36 97.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 37' ' ' CYS . 7.9 tp -61.57 -51.46 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -45.69 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -64.78 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.541 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 48.3 t-80 -75.88 -50.84 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.505 ' HB2' ' HE3' ' A' ' 55' ' ' MET . 6.8 ptm -67.41 -28.24 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.6 OUTLIER -60.13 160.83 7.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.502 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 22.4 m170 -100.29 -39.8 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.621 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 26.9 m-70 -55.23 -72.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 p -88.61 -47.76 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 40.04 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -79.11 162.78 25.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -134.64 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.8 mt -115.33 141.56 47.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -67.77 -25.7 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.6 t -105.37 150.67 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -84.1 -48.2 10.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.63 -61.31 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.12 -44.86 20.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' HIS . 19.3 ttm -64.65 -64.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 78' ' ' MET . 9.6 mtmp? -39.1 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.6 t80 -82.45 -40.08 21.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -53.82 -25.07 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -72.99 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -62.68 -23.87 67.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.01 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 81' ' ' HIS . 4.6 m120 -64.26 -61.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.621 ' CE1' ' HB2' ' A' ' 67' ' ' HIS . 24.5 m80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.914 0.388 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 9.4 mt -55.35 -59.22 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 42.9 mt-10 -34.46 -46.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.09 -52.46 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -51.16 -53.52 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.3 m0 -53.41 -56.43 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.726 ' HA ' HD12 ' A' ' 29' ' ' ILE . 66.1 t80 -38.79 -56.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HA ' HG22 ' A' ' 30' ' ' VAL . 97.4 mt -47.85 -59.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -40.88 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 26' ' ' TYR . 8.4 mt -90.15 -49.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.8 m -64.8 -15.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -101.52 -33.31 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -113.95 -55.46 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 142.7 -19.75 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 p -148.84 178.16 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.7 p -138.2 153.1 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 t -95.59 162.14 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 51' ' ' LEU . 50.0 t -78.65 113.92 38.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -96.07 -50.8 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.3 p -117.92 -26.07 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' CYS . 48.1 mt-30 59.84 44.62 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.74 -34.64 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.07 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -117.01 -176.47 17.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -142.23 152.36 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' O ' HG23 ' A' ' 47' ' ' THR . 32.8 mttp -61.29 -12.2 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 46' ' ' LYS . 0.8 OUTLIER -159.77 -177.09 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 52' ' ' LYS . 31.2 mt -83.05 -46.98 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.1 -40.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -32.84 30.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 37' ' ' CYS . 11.4 tp -68.43 -48.09 65.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.729 ' HD2' HG22 ' A' ' 48' ' ' ILE . 4.6 mtpm? -46.72 -47.04 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -62.27 -35.14 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -71.76 -54.15 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 ptp -63.65 -25.9 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -59.18 162.59 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 34.1 m80 -107.03 -38.71 5.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -52.49 -62.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.37 -43.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.16 44.04 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -86.68 163.18 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.724 0.297 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -134.13 105.76 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.52 128.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -55.67 -42.39 75.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.5 m -89.11 134.78 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -70.66 -56.58 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -39.37 -63.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.22 -43.82 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' HIS . 21.7 ttm -64.59 -58.06 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -46.17 -20.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' MET . 14.2 t80 -89.21 -31.4 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -63.91 -24.24 67.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.41 -54.99 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 69.5 mtm -65.53 -9.65 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -59.88 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -82.39 -52.17 7.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.9 m80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 11.6 mt -51.82 -35.27 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -50.59 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.79 -50.78 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 27' ' ' LEU . 62.0 mt-30 -59.45 -60.36 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CZ2' HD13 ' A' ' 21' ' ' LEU . 22.5 m0 -44.6 -45.76 9.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 29' ' ' ILE . 76.6 t80 -56.71 -48.38 77.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 24' ' ' GLN . 82.4 mt -48.97 -54.42 15.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -44.63 -26.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 26' ' ' TYR . 16.3 mt -83.52 -55.8 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.7 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.0 m -59.07 -15.79 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -97.86 -43.83 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -109.01 -51.58 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 132.77 -5.0 5.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -157.91 147.4 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.83 136.53 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 t -76.61 170.13 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.64 120.93 64.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.81 -4.9 15.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -95.19 -62.48 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.14 -28.94 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 57.14 37.96 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.64 -35.45 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.35 175.45 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.65 159.21 28.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HG2' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -100.69 173.97 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -70.66 -45.44 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.89 -177.62 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 26' ' ' TYR . 6.2 mm -65.15 -53.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -43.59 -59.27 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HG2' ' A' ' 45' ' ' ARG . . . -44.72 -43.52 8.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HD2' ' A' ' 38' ' ' PRO . 12.7 tp -61.87 -47.32 85.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' A' ' 52' ' ' LYS . 1.2 mpmm? -45.99 -58.18 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.9 -31.46 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 28.8 t-80 -71.37 -51.6 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.0 ptm -72.38 -10.77 60.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 18.3 t -63.6 162.21 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.462 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 19.1 m80 -102.83 -37.81 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -60.87 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -101.26 -48.1 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.41 23.99 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -61.96 155.15 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.94 102.75 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 78' ' ' MET . 22.0 mt -112.45 147.73 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -71.95 -27.33 62.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -112.24 152.33 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -80.11 -42.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.54 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.46 -36.68 3.28 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.743 ' HA ' HD12 ' A' ' 72' ' ' LEU . 26.0 ttm -67.96 -58.12 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -43.85 -21.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 24.7 t80 -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.56 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -50.07 -33.71 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.463 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 73.6 t -64.94 -42.47 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 45.2 mtm -82.58 18.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.54 -37.76 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.44 -24.38 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 15.1 mt -73.05 -44.65 60.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -41.48 -41.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.27 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -57.01 -54.65 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.4 m0 -56.93 -35.25 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE2' HG11 ' A' ' 30' ' ' VAL . 79.5 t80 -59.96 -53.53 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' HA ' HG22 ' A' ' 30' ' ' VAL . 82.3 mt -50.96 -58.99 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.79 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 47' ' ' THR . 29.8 mt -89.43 -46.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -70.07 -13.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.93 -33.89 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -114.27 -45.29 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 129.87 -16.77 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.4 p -154.77 168.89 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.43 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.9 p -119.79 150.55 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.3 t -100.79 166.64 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' HD11 ' A' ' 51' ' ' LEU . 47.9 t -76.27 112.26 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.64 ' HD2' HD11 ' A' ' 51' ' ' LEU . 54.0 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.6 m -100.85 -52.53 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -107.52 -24.42 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' CYS . 66.0 mt-30 55.1 40.95 32.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.32 -34.41 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.17 175.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -146.4 175.85 25.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 15.9 mmt180 -132.4 151.95 51.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -46.03 -53.41 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.533 ' HA ' HD13 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -129.7 177.73 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLU . 49.3 mt -57.47 -53.88 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ILE . 61.0 mt-10 -37.96 -50.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.53 -58.71 12.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 ' HD2' ' A' ' 38' ' ' PRO . 3.6 tp -48.11 -53.33 16.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LEU . 61.6 mttt -37.44 -55.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.32 -34.01 70.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LEU . 40.0 t-80 -70.78 -46.25 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.9 ptm -76.28 -8.71 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.34 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -53.21 161.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.498 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.3 t-80 -103.61 -39.9 6.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -57.53 -69.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -90.18 -44.44 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.41 31.28 4.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' HD11 ' A' ' 72' ' ' LEU . 15.8 tttp -65.79 160.05 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -135.6 106.68 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 78' ' ' MET . 68.2 mt -128.51 150.98 49.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -79.8 -44.27 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 m -86.31 111.78 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 tp -48.07 -46.96 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.47 -72.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.37 -45.14 1.79 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.516 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -62.96 -54.2 42.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -46.8 -24.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -48.01 -35.98 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.457 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 77.2 t -69.67 -42.42 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.4 mtm -82.62 19.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.62 -29.35 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -116.89 -52.57 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 25.4 m170 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.84 -43.13 25.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -45.63 -38.33 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.66 -55.55 22.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.0 -61.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' HB3' HG21 ' A' ' 35' ' ' VAL . 23.3 m0 -47.23 -49.33 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.622 ' HA ' HD12 ' A' ' 29' ' ' ILE . 84.8 t80 -48.94 -47.26 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' HA ' HG22 ' A' ' 30' ' ' VAL . 37.1 mt -57.43 -49.03 77.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.82 -15.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 26' ' ' TYR . 15.5 mt -97.45 -48.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.591 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.4 m -65.62 -17.66 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -97.6 -37.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -109.58 -57.29 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.483 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 146.22 -16.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.0 p -157.06 169.07 25.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -124.18 144.14 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.4 t -99.7 150.92 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.12 115.75 11.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -4.15 13.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -95.56 -61.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -99.09 -32.87 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 64.45 37.7 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.15 -35.33 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.02 156.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.74 -171.0 12.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 2.7 mmp_? -145.89 153.58 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -47.25 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.27 155.88 48.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.8 mt -41.62 -51.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ILE . 9.9 pt-20 -36.83 -49.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.39 -54.64 32.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 5.6 tp -53.5 -47.31 69.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -40.88 -53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -58.66 -34.2 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.54 -50.8 33.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.4 ptp -73.1 -22.09 60.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 71' ' ' GLN . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 4.4 t -59.53 160.33 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.467 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 79.2 m-70 -104.91 -37.58 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 66.6 m-70 -54.68 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.82 -46.96 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.14 36.91 2.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -78.45 151.77 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 64' ' ' THR . 34.3 mt-30 -126.23 103.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 78' ' ' MET . 45.2 mt -117.07 148.07 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -66.95 -55.55 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -81.09 159.82 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 tp -88.05 -52.66 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.3 -58.23 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.47 -44.58 53.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.4 ttm -67.65 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 78' ' ' MET . 25.7 mttt -37.83 -27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -81.26 -43.68 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -48.6 -25.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 73.2 t -75.6 -42.47 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.7 mtm -80.62 14.23 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.35 -55.49 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -85.01 -42.02 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 67' ' ' HIS . 13.5 m170 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.939 0.399 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 20.8 mt -67.95 -43.11 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -41.84 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -53.6 -52.84 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HA ' HD12 ' A' ' 27' ' ' LEU . 27.1 mt-30 -47.77 -67.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 21.5 m0 -46.07 -53.16 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.679 ' O ' HG13 ' A' ' 30' ' ' VAL . 65.4 t80 -41.09 -47.67 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HA ' HG22 ' A' ' 30' ' ' VAL . 12.3 mt -57.6 -54.28 48.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.69 -24.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.3 mt -90.71 -52.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.5 m -62.71 -13.99 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -101.87 -42.21 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -107.76 -47.88 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 137.18 -19.13 3.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -155.0 171.45 19.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.45 142.2 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 t -95.83 165.02 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 17.2 t -73.09 112.53 15.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.9 Cg_endo -69.77 -1.79 9.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -103.15 -59.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.04 -30.52 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 59.27 44.9 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.19 -41.48 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.78 151.86 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.81 -173.4 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -138.27 149.98 46.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -51.34 -50.38 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -126.51 172.68 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLU . 37.8 mt -59.22 -51.49 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ILE . 69.2 mm-40 -37.91 -52.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.18 -55.31 30.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' HIS . 3.7 tp -50.7 -51.87 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 64.5 mttt -41.55 -47.99 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.64 72.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.5 t60 -71.66 -55.04 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' GLU . 9.9 ptm -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 6.6 t -59.49 161.79 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.48 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.8 m170 -103.94 -38.6 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.19 -66.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.85 -47.57 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.75 26.71 4.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HD3' HD11 ' A' ' 72' ' ' LEU . 27.4 tttm -63.84 154.4 33.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -134.9 101.82 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 ' HD3' ' A' ' 70' ' ' LYS . 16.8 mt -121.58 152.84 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 m -85.53 121.16 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -56.75 -45.51 81.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 -66.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.15 -46.13 10.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.508 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 27.1 ttm -59.36 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -42.39 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -81.2 -38.93 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.7 OUTLIER -50.82 -34.45 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 93.6 t -69.52 -45.09 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 mtm -55.23 -19.24 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.4 -67.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.54 -27.35 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.4 mt -41.06 -35.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.75 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -44.18 -49.6 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.89 -62.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.428 ' HB3' HG21 ' A' ' 35' ' ' VAL . 31.1 m0 -46.46 -43.47 16.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.757 ' CE2' HG11 ' A' ' 30' ' ' VAL . 79.5 t80 -51.55 -53.89 33.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.484 ' HA ' HG22 ' A' ' 30' ' ' VAL . 15.9 mt -48.44 -56.46 8.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.63 -31.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 47' ' ' THR . 31.1 mt -83.35 -56.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.757 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -57.25 -17.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.9 t0 -97.6 -58.72 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 9.9 mmpt? -90.92 -50.08 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.48 -15.95 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 p -152.26 168.22 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.2 p -121.36 145.43 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.8 t -93.84 166.36 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.2 t -85.16 118.74 71.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.43 18.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -96.38 -64.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.9 p -88.18 -33.35 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 57.95 39.75 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.09 -42.03 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.17 174.44 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.61 179.95 26.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 21.7 mtp85 -130.75 170.09 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.02 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.51 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.5 p -120.79 -175.75 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.507 HG22 ' HE3' ' A' ' 52' ' ' LYS . 11.8 mt -78.87 -51.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' ILE . 7.7 mm-40 -35.9 -53.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -61.78 -39.71 97.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.3 tp -61.81 -51.68 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HE3' HG22 ' A' ' 48' ' ' ILE . 23.5 mttt -41.33 -47.1 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -33.2 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.4 t-80 -71.72 -55.4 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ptp -62.58 -25.91 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.888 0.375 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 36.5 t -56.64 161.35 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.6 m-70 -109.1 -34.49 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.54 -49.09 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -112.96 -44.98 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 26.98 5.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HD3' HD11 ' A' ' 72' ' ' LEU . 14.5 tttp -63.8 153.43 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -134.21 102.58 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.476 HD11 ' HD3' ' A' ' 70' ' ' LYS . 11.3 mt -120.16 167.34 12.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -53.74 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.5 p -85.17 128.77 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.77 -57.34 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -38.86 -60.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.03 -42.28 11.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.0 ttm -71.22 -61.47 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -40.97 -27.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' MET . 8.7 t80 -80.68 -37.69 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.5 p-80 -52.89 -38.17 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.416 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 60.0 t -63.95 -47.31 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.4 mtm -70.96 -9.64 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.63 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 1.1 p30 -84.52 -54.11 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.5 m80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.924 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.565 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 22.5 mt -47.69 -38.57 15.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -50.19 -59.6 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.2 -43.61 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.32 -59.21 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 31.9 m0 -52.53 -37.49 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 29' ' ' ILE . 67.0 t80 -57.51 -46.66 83.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 30' ' ' VAL . 40.2 mt -50.43 -58.79 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -39.83 -30.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 26' ' ' TYR . 15.9 mt -80.05 -56.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.3 m -55.07 -18.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -94.08 -56.04 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -95.6 -49.77 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 139.13 -19.39 3.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -155.42 138.71 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 25' ' ' TRP . 10.6 p -88.25 156.86 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 35' ' ' VAL . 40.0 t -102.75 162.07 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.3 111.95 10.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.752 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.76 -1.4 8.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.737 2.292 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -106.4 -56.08 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.96 -25.01 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 51.36 38.39 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.99 -38.89 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.82 137.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.93 173.56 16.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG3' ' C ' ' A' ' 50' ' ' GLY . 15.3 mmm180 -126.7 157.28 39.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -58.9 -47.17 85.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.95 -179.85 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLU . 5.5 mm -64.28 -55.69 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.3 mt-10 -36.41 -50.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -58.05 -51.93 55.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.752 HD11 ' HD2' ' A' ' 38' ' ' PRO . 9.5 tp -55.4 -56.67 17.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -42.91 -56.42 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.59 -33.22 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.07 -54.14 29.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.61 -25.65 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.7 OUTLIER -45.72 161.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 1.3 t60 -101.43 -40.12 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 66.1 m80 -52.22 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -96.4 -47.32 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 38.92 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -78.64 152.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -123.55 111.59 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 78' ' ' MET . 24.8 mt -118.72 175.04 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -90.26 -61.11 1.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.1 m -83.34 109.65 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.86 -43.57 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.71 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.16 -39.88 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.553 ' HA ' HD12 ' A' ' 72' ' ' LEU . 27.8 ttm -68.41 -63.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -40.95 -23.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 11.2 t80 -84.75 -38.06 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -56.17 -29.58 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.19 -64.7 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -57.76 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.28 -72.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -62.02 -61.43 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 67' ' ' HIS . 19.8 m170 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 18.0 mt -60.92 -45.92 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -43.59 -48.45 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -44.59 87.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.64 -65.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' HB3' HG21 ' A' ' 35' ' ' VAL . 19.2 m0 -43.45 -49.21 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.704 ' CE2' HG11 ' A' ' 30' ' ' VAL . 81.9 t80 -45.63 -55.33 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -44.58 -58.37 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -39.88 -30.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 26' ' ' TYR . 27.4 mt -81.3 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.704 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.6 m -55.16 -16.37 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 5.3 t0 -97.87 -55.69 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.8 mmpt? -93.93 -53.62 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 144.93 -22.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -158.84 147.47 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 25' ' ' TRP . 13.5 p -94.63 143.46 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -97.14 159.27 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 t -60.87 113.44 7.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.576 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.8 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 m -102.71 -59.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -96.29 -28.89 14.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 58.53 42.51 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.23 -42.17 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.62 134.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.16 173.42 14.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 9.8 mtp180 -131.98 157.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -58.65 -48.1 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 p -117.05 171.78 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 49' ' ' GLU . 21.3 mt -73.54 -50.11 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.4 tt0 -32.74 -57.0 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -59.54 -45.41 95.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.576 HD11 ' HD2' ' A' ' 38' ' ' PRO . 7.2 tp -56.82 -52.13 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -38.97 -53.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' LEU . 26.2 t-80 -68.25 -50.27 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ptp -68.51 -31.65 71.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 3.3 t -57.37 161.98 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.3 p-80 -109.35 -35.96 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -51.6 -48.12 63.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.39 -43.57 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.87 39.23 1.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.7 ttmm -78.92 154.7 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -131.58 104.51 6.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 78' ' ' MET . 94.6 mt -122.69 134.04 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -53.7 -48.82 69.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.4 m -88.81 133.64 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.72 -42.52 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.49 -69.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.82 -42.67 11.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.536 ' HA ' HD12 ' A' ' 72' ' ' LEU . 33.5 ttm -63.08 -66.38 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -39.58 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' MET . 25.6 t80 -83.07 -38.59 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.661 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.83 -26.23 57.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.435 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 78.3 t -72.85 -37.9 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 47.1 mtm -84.55 15.73 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.72 -26.8 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -119.75 -37.54 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.6 m80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.49 -48.13 69.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -42.34 -43.44 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -57.8 -48.95 78.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -57.38 -60.19 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.43 ' HB3' HG21 ' A' ' 35' ' ' VAL . 39.6 m0 -47.54 -45.99 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.744 ' CE2' HG11 ' A' ' 30' ' ' VAL . 78.1 t80 -49.04 -44.91 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 30' ' ' VAL . 35.1 mt -53.4 -58.97 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.53 -28.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 26' ' ' TYR . 17.1 mt -82.15 -53.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.744 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.9 m -62.88 -12.34 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.62 -44.09 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -107.86 -52.96 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 -20.94 2.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.45 ' HB2' ' C ' ' A' ' 45' ' ' ARG . 90.6 p -153.24 142.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 51' ' ' LEU . 14.5 p -90.13 130.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -82.96 150.96 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 52.6 t -63.31 110.91 4.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 m -101.2 -56.59 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.31 -30.36 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 63.55 41.54 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.49 -44.81 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.28 143.25 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.22 -177.67 19.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' C ' ' HB2' ' A' ' 34' ' ' SER . 3.6 tpm_? -139.11 129.89 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.403 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.626 ' HD3' HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -46.79 -19.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.626 HG23 ' HD3' ' A' ' 46' ' ' LYS . 13.8 p -141.87 174.51 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' GLU . 6.7 mt -78.81 -48.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' ILE . 5.8 mm-40 -34.05 -66.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.26 46.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 35' ' ' VAL . 7.8 tp -50.25 -54.42 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -43.49 -50.61 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -61.99 -26.3 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 47.6 t-80 -79.43 -52.34 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.7 ptm -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.443 HG23 ' CG ' ' A' ' 71' ' ' GLN . 8.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -53.05 161.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 47.4 m-70 -104.87 -38.99 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.622 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 38.3 m80 -50.48 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.7 p -100.5 -44.59 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.72 36.05 2.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 72' ' ' LEU . 3.4 tmtm? -75.8 152.88 37.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 69.9 mt-30 -131.81 115.15 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HG ' ' CD ' ' A' ' 70' ' ' LYS . 65.1 mt -127.57 166.33 18.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -56.39 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.1 p -81.22 110.04 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -41.2 -56.48 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -39.26 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.21 -58.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.459 ' HA ' HD12 ' A' ' 72' ' ' LEU . 6.4 ttm -53.49 -52.05 60.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -47.43 -19.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.67 -40.05 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.455 ' ND1' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.7 -41.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 70.8 mtm -83.49 19.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.57 -21.73 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -126.52 -44.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.622 ' CE1' ' HB2' ' A' ' 67' ' ' HIS . 16.6 m80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -44.12 -45.33 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.47 -52.4 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -49.67 -47.99 49.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -59.14 -63.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.477 ' HB3' HG21 ' A' ' 35' ' ' VAL . 29.9 m0 -44.31 -43.15 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CE2' HG11 ' A' ' 30' ' ' VAL . 80.5 t80 -49.96 -44.41 50.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HA ' HG22 ' A' ' 30' ' ' VAL . 13.9 mt -56.31 -55.72 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.8 -26.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 27' ' ' LEU . 26.9 mt -85.62 -55.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.6 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -63.63 -10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.97 -58.21 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -87.18 -41.3 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.08 5.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.402 ' N ' ' HA ' ' A' ' 29' ' ' ILE . 79.3 p -159.35 179.07 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.6 p -126.34 148.81 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -105.87 158.14 16.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -67.39 112.34 9.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.79 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.2 m -96.92 -60.26 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -97.9 -28.99 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 59.91 42.81 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.86 -47.86 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 m -122.73 139.64 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.72 -168.74 19.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -149.75 142.39 24.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -39.96 -55.05 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -127.35 -179.16 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.447 HG22 ' HD2' ' A' ' 52' ' ' LYS . 32.3 mt -63.11 -49.6 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.5 tt0 -37.0 -52.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.76 56.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 38' ' ' PRO . 5.3 tp -52.59 -52.57 54.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HD2' HG22 ' A' ' 48' ' ' ILE . 10.3 mttm -43.91 -47.93 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -64.26 -36.16 83.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -66.45 -56.95 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ptp -60.64 -26.92 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.486 HG23 ' HG2' ' A' ' 71' ' ' GLN . 7.7 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.352 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 23.1 t -64.22 161.22 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.44 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 37.7 m170 -106.05 -35.06 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -61.9 -63.03 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.3 p -95.79 -44.91 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.06 28.72 4.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -64.93 151.18 46.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.702 0.287 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG2' HG23 ' A' ' 64' ' ' THR . 14.8 mt-30 -134.83 95.64 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 78' ' ' MET . 85.9 mt -112.75 165.71 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 74' ' ' SER . 1.8 ptp180 -95.98 -31.45 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 84.4 p -94.96 111.49 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -42.4 -65.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -38.4 -68.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.46 -52.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 7.2 ttm -57.74 -51.64 68.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -46.0 -33.29 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.73 -45.18 45.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -44.5 -38.23 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.52 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 87.5 t -68.96 -60.25 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.01 -15.4 22.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -72.84 -48.63 36.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 11.7 mt -63.36 -44.48 94.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -40.59 -40.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -62.14 -49.25 76.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.6 -59.86 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.509 ' HB3' HG21 ' A' ' 35' ' ' VAL . 45.8 m0 -47.92 -28.91 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.782 ' CE2' HG11 ' A' ' 30' ' ' VAL . 87.3 t80 -69.59 -51.66 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 mt -46.85 -50.14 19.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -47.57 -27.49 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.1 mt -83.01 -57.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.782 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.3 m -61.18 -14.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.27 -41.92 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -113.38 -47.31 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.96 -11.44 5.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.4 p -152.42 158.26 42.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.6 p -106.78 137.25 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -80.86 152.31 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.55 121.29 84.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.705 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.9 Cg_endo -69.75 -7.13 20.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.399 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -88.57 -65.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.4 -32.8 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.93 35.68 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.49 -46.58 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -124.77 141.92 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.5 161.67 12.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.82 149.17 28.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -42.26 -54.13 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 p -136.26 173.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.724 HG22 ' HE3' ' A' ' 52' ' ' LYS . 29.6 mt -54.9 -30.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.45 -54.46 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.51 72.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD11 ' HD2' ' A' ' 38' ' ' PRO . 23.3 tp -64.49 -59.07 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.724 ' HE3' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -49.8 -33.95 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -75.13 -26.41 59.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -85.0 -50.91 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.9 ptm -65.69 -27.41 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -72.11 161.84 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.526 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.2 m80 -105.45 -37.45 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -52.47 -67.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.21 -39.22 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.71 41.93 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -84.78 152.4 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -127.11 109.71 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 78' ' ' MET . 96.6 mt -122.75 159.65 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -81.0 -52.76 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -83.73 121.19 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.45 -42.34 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.78 -41.68 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.592 ' HA ' HD12 ' A' ' 72' ' ' LEU . 31.0 ttm -67.32 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -39.48 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 48.3 t80 -78.44 -38.91 40.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.646 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -55.82 -28.04 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.432 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 70.1 t -81.39 -51.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.83 -9.37 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.0 -65.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -74.15 -48.81 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.54 -52.3 64.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.54 -45.01 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.47 -49.98 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -55.06 -58.3 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' TYR . 35.0 m0 -47.82 -58.06 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.879 ' O ' HG13 ' A' ' 30' ' ' VAL . 71.4 t80 -37.2 -50.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.691 ' HA ' HG22 ' A' ' 30' ' ' VAL . 27.9 mt -55.12 -52.89 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.98 -22.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 26' ' ' TYR . 3.4 mt -97.77 -35.16 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.3 m -78.33 -12.19 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.83 -53.66 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -89.34 -47.58 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.32 -17.21 4.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.8 m -160.7 145.58 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.71 147.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -103.56 157.12 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 t -64.9 112.42 8.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -1.47 8.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -101.1 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.9 p -98.8 -27.59 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 56.61 41.15 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.92 -43.66 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -133.72 133.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.28 -178.13 19.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -126.99 164.65 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' N ' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -69.87 -25.38 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.51 171.9 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 49' ' ' GLU . 27.9 mt -69.73 -57.35 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' ILE . 47.2 mt-10 -34.43 -61.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.51 -45.84 75.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.8 tp -57.17 -51.45 69.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -39.91 -50.14 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -60.41 -34.75 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' LEU . 42.7 t-80 -68.65 -55.86 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ptp -61.17 -23.22 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.881 0.372 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 17.7 t -58.76 160.83 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.439 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 82.5 t60 -107.38 -37.1 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -58.15 -57.79 11.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.1 -44.86 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.58 26.96 5.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.429 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 9.9 tttm -64.75 153.96 38.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -138.83 105.38 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -132.2 142.27 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -76.82 -27.06 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.9 m -98.64 107.03 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 tp -47.3 -43.54 22.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.22 -64.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.27 -44.8 44.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.563 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 26.7 ttm -59.1 -57.9 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -45.68 -20.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.27 -38.1 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -50.76 -30.29 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.462 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 86.0 t -72.49 -51.32 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.8 mtm -65.74 -24.09 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.96 -51.48 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -83.83 -59.99 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.939 0.399 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.04 -34.5 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' HD13 ' A' ' 48' ' ' ILE . 1.7 mp0 -59.01 -25.44 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -88.18 -38.78 15.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -58.04 -47.35 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -56.75 -51.33 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.817 ' O ' HG13 ' A' ' 30' ' ' VAL . 77.3 t80 -45.24 -48.62 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' A' ' 30' ' ' VAL . 23.3 mt -54.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -37.29 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.577 HG23 ' C ' ' A' ' 33' ' ' GLY . 9.3 mt -85.37 -48.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.7 m -62.34 -13.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -101.66 -42.27 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -103.97 -52.22 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.577 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 139.92 -19.03 2.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.2 p -153.75 155.47 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.82 139.01 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 159.51 15.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 46.0 t -67.33 112.57 10.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.7 Cg_endo -69.79 -2.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.4 m -97.3 -57.25 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 p -104.11 -26.2 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' CYS . 82.8 mt-30 57.46 39.41 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.74 -44.81 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.72 138.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.63 177.24 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -132.43 166.26 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -60.01 -47.81 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.533 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.4 p -135.83 -175.24 3.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.549 HD11 ' HB2' ' A' ' 26' ' ' TYR . 36.4 mt -67.76 -40.4 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.41 -47.42 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.41 75.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 37' ' ' CYS . 3.5 tp -60.76 -43.11 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -49.85 -49.03 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -64.18 -14.72 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 32.5 t-80 -92.62 -50.12 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.411 ' HB2' ' HE2' ' A' ' 55' ' ' MET . 8.1 ptm -70.49 -23.38 62.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.93 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.356 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -63.7 161.04 15.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 2.7 t-160 -105.61 -36.73 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -52.33 -66.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.6 p -99.1 -40.14 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.17 41.13 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 4.8 tmtm? -84.56 154.26 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 28.3 mt-30 -129.77 112.31 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 78' ' ' MET . 24.0 mt -118.76 144.04 46.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -53.06 -54.6 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -89.15 175.98 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.88 -49.21 4.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.38 -66.43 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.19 -51.76 7.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.548 ' HA ' HD12 ' A' ' 72' ' ' LEU . 28.4 ttm -56.79 -65.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -40.69 -24.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' MET . 3.0 t80 -84.67 -37.31 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -57.44 -27.02 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.5 t -72.04 -50.72 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 mtm -68.84 -21.23 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.4 -54.43 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -84.75 -55.88 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 10.8 mt -45.79 -38.8 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.45 -52.05 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.4 -51.61 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -54.86 -52.38 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.592 ' CZ2' ' HG3' ' A' ' 38' ' ' PRO . 46.5 m0 -58.05 -40.33 80.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.752 ' CE2' HG11 ' A' ' 30' ' ' VAL . 77.6 t80 -55.27 -49.79 71.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HA ' HG22 ' A' ' 30' ' ' VAL . 14.3 mt -53.95 -56.23 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -42.74 -24.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 33' ' ' GLY . 16.2 mt -92.01 -53.94 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.752 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.2 m -59.49 -20.98 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.3 -47.72 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -102.58 -54.42 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.677 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 147.7 -23.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 p -148.38 176.1 10.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -127.14 148.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -100.69 154.07 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLN . 29.9 t -62.44 110.4 3.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.838 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.5 Cg_endo -69.77 -6.53 18.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -94.8 -53.21 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.7 p -105.3 -31.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' CYS . 57.1 mt-30 62.52 41.4 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.91 -43.32 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.81 141.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.94 19.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -130.41 153.48 48.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -46.3 -56.18 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.487 ' HA ' HD13 ' A' ' 29' ' ' ILE . 2.8 p -132.86 177.54 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.968 HG22 ' HD2' ' A' ' 52' ' ' LYS . 39.3 mt -50.79 -49.39 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -43.81 -54.37 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.99 92.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.838 HD11 ' HD2' ' A' ' 38' ' ' PRO . 11.0 tp -65.7 -58.03 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.968 ' HD2' HG22 ' A' ' 48' ' ' ILE . 6.1 mtpp -42.09 -54.28 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -58.25 -32.8 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -72.16 -54.79 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.451 ' CE ' ' CH2' ' A' ' 25' ' ' TRP . 10.0 ptp -64.55 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' HG2' ' A' ' 71' ' ' GLN . 6.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 10.6 t -49.66 161.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.476 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 5.6 m-70 -107.93 -35.64 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -58.41 -58.91 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.03 -45.8 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.97 32.01 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -68.57 152.49 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.9 mt-30 -133.27 103.71 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 78' ' ' MET . 41.7 mt -129.05 130.84 47.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.69 -47.59 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -82.74 113.22 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 tp -49.97 -46.91 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.91 -62.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.94 -43.77 31.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 35.8 ttm -62.22 -64.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -40.15 -24.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 52.9 t80 -82.79 -39.92 21.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 0.7 OUTLIER -51.81 -30.92 25.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.7 mtm -61.92 -21.42 64.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.18 -69.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -71.1 -54.81 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 21.0 mt -51.12 -32.97 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -53.91 -59.84 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -44.94 -52.55 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.18 -55.37 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.792 ' HB3' HG21 ' A' ' 35' ' ' VAL . 30.3 m0 -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.761 ' CE2' HG11 ' A' ' 30' ' ' VAL . 86.9 t80 -49.19 -52.51 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HA ' HG22 ' A' ' 30' ' ' VAL . 31.3 mt -47.3 -57.5 5.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -40.41 -31.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 47' ' ' THR . 42.9 mt -81.12 -55.48 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.761 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.9 m -61.74 -15.13 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -96.93 -46.29 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -106.85 -48.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 133.66 -13.02 4.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -152.87 145.57 24.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 25' ' ' TRP . 8.3 p -98.69 144.51 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -92.67 169.8 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.4 t -78.67 111.6 20.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.605 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.7 Cg_endo -69.78 -3.97 13.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -98.16 -50.35 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.3 p -106.72 -29.93 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' CYS . 54.7 mt-30 60.8 43.09 12.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.13 -39.77 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.77 174.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -145.47 162.71 28.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -114.46 171.38 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -58.28 -55.67 31.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.614 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.4 p -133.09 -175.36 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 mm -54.15 -49.9 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -45.55 -61.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.38 20.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 38' ' ' PRO . 6.9 tp -64.78 -38.22 90.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -52.62 -52.0 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -65.55 -13.63 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -89.43 -51.0 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 ptm -71.07 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.337 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 7.1 t -47.83 157.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 49.6 m80 -105.16 -33.1 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.71 -59.14 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.83 -43.46 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.96 33.13 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -78.34 153.86 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.5 mt-30 -129.86 123.5 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 78' ' ' MET . 77.9 mt -140.58 126.16 19.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -51.2 -44.57 61.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 t -87.79 149.72 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.2 tp -82.65 -49.55 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.63 -65.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.97 -55.65 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.519 ' HA ' HD12 ' A' ' 72' ' ' LEU . 30.4 ttm -52.94 -63.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' CE ' ' A' ' 83' ' ' MET . 5.9 mtpm? -42.14 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.9 t80 -85.51 -36.11 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -59.46 -26.8 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' HIS . 87.0 t -72.67 -49.4 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 79' ' ' LYS . 4.6 mpp? -68.66 -29.48 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.36 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -87.41 -52.12 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' VAL . 5.7 m170 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.5 mt -50.15 -36.73 31.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 12.7 mt-10 -51.14 -60.74 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -44.51 -42.6 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.98 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CE3' ' HA ' ' A' ' 22' ' ' GLU . 16.5 m0 -48.19 -51.14 26.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.753 ' CE2' HG11 ' A' ' 30' ' ' VAL . 84.9 t80 -42.26 -48.99 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HA ' HG22 ' A' ' 30' ' ' VAL . 23.6 mt -53.87 -54.86 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -46.29 -23.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.413 HG23 ' C ' ' A' ' 33' ' ' GLY . 35.8 mt -90.53 -44.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.753 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.7 m -68.63 -15.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -102.86 -38.63 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -112.29 -49.6 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 130.06 -4.12 6.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -164.34 151.97 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.74 151.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -92.52 148.79 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.11 117.52 20.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.78 5.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.1 m -106.88 -57.65 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.8 p -97.72 -30.83 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 61.1 44.15 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.94 -47.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.51 151.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.52 -176.37 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -124.01 154.28 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 40.9 mttm -69.76 0.68 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.91 163.25 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -68.2 -62.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -58.73 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.97 -46.85 19.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.1 -32.65 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 26.6 mmtt -58.12 -39.09 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -68.61 -33.14 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -75.98 -51.6 12.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.8 ptm -66.71 -38.3 86.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 6.1 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.24 158.4 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -106.71 -32.67 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.82 -57.45 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.04 -42.6 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.46 31.48 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -72.09 156.53 39.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.289 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -136.61 104.99 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 78' ' ' MET . 14.0 mt -119.28 148.72 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -78.51 -19.65 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.5 m -111.32 122.72 48.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.85 -44.83 91.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.25 -72.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -39.5 -48.17 2.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.519 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 29.0 ttm -57.77 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -44.72 -26.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -80.74 -38.34 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -53.1 -35.19 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.467 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 96.3 t -63.78 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtm -84.15 25.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.45 -44.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -98.84 -48.37 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.27 -37.99 38.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -46.7 -58.53 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -43.05 -44.78 4.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.61 -64.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.775 ' HB3' HG21 ' A' ' 35' ' ' VAL . 27.8 m0 -42.74 -57.44 2.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.777 ' HA ' HD12 ' A' ' 29' ' ' ILE . 84.3 t80 -37.93 -44.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 30' ' ' VAL . 54.8 mt -56.75 -49.23 75.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -53.21 -23.59 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 26' ' ' TYR . 6.6 mt -90.51 -33.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.5 m -85.7 -15.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -107.32 -52.46 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -89.39 -43.34 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.86 -3.26 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 p -165.64 141.76 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.775 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -96.53 137.57 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -96.57 154.24 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' HA ' HD11 ' A' ' 51' ' ' LEU . 22.4 t -54.59 119.18 19.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.3 Cg_endo -69.74 0.65 5.33 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -112.22 -60.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 p -92.95 -23.01 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.35 44.25 16.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.68 -33.37 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.81 144.34 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.64 -151.36 5.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -152.05 -175.45 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -92.58 31.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 50' ' ' GLY . 9.9 t -175.02 179.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.658 HD11 ' CA ' ' A' ' 26' ' ' TYR . 18.1 mt -102.88 -9.0 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.08 -49.99 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.456 ' H ' HG23 ' A' ' 47' ' ' THR . . . -69.96 -27.25 73.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG13 ' A' ' 35' ' ' VAL . 12.2 tp -76.17 -50.86 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 29.5 mtmt -43.91 -36.3 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.3 -32.92 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.7 t60 -80.86 -50.03 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.431 ' CG ' ' HA ' ' A' ' 52' ' ' LYS . 3.9 ppp? -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.452 HG23 ' HG2' ' A' ' 71' ' ' GLN . 8.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.824 0.345 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 5.9 t -61.52 161.34 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.483 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 14.1 m80 -106.85 -38.93 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -54.74 -62.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -99.99 -44.21 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.45 30.0 3.99 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.526 ' CE ' HD11 ' A' ' 72' ' ' LEU . 26.2 tttp -65.82 152.07 45.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.6 mt-30 -133.04 100.98 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.526 HD11 ' CE ' ' A' ' 70' ' ' LYS . 61.5 mt -125.61 144.37 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -72.66 -43.35 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -84.67 121.06 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.96 -45.73 74.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.67 -67.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.28 -39.03 2.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.513 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.9 ttm -71.52 -47.67 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.49 -15.87 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 26.4 t80 -94.98 -21.5 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.3 p-80 -69.16 -32.13 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 86' ' ' HIS . 44.3 t -75.71 -52.13 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.417 ' CE ' ' HA ' ' A' ' 80' ' ' TYR . 25.0 ptp -54.33 -34.8 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.83 -72.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.51 -52.06 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.568 ' HB2' HG13 ' A' ' 82' ' ' VAL . 36.2 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -174.84 164.81 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -170.46 161.29 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.18 173.55 35.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -161.66 165.3 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -168.02 171.06 9.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.02 103.6 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -143.01 163.24 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 9' ' ' ILE . 2.7 pp -76.94 158.24 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -130.33 92.14 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -117.17 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -134.56 152.52 77.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.656 0.741 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.4 57.06 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 169.1 19.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -44.95 -22.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.43 154.03 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.76 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.063 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.63 40.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.71 46.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -122.83 171.3 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLU . 11.9 mt -65.52 -46.94 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mt-10 -37.69 -49.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.89 -47.7 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.23 -59.36 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.614 ' HB3' HG21 ' A' ' 35' ' ' VAL . 18.5 m0 -54.03 -39.79 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.727 ' CE2' HG11 ' A' ' 30' ' ' VAL . 85.2 t80 -55.83 -49.27 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' HG22 ' A' ' 30' ' ' VAL . 18.0 mt -53.18 -56.81 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.65 -24.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 47' ' ' THR . 38.4 mt -88.99 -56.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.727 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.4 m -60.11 -14.57 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.14 -43.93 5.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -105.06 -51.25 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 134.31 -13.32 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.4 p -152.44 163.18 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 25' ' ' TRP . 12.2 p -126.43 143.51 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -92.66 168.83 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.63 124.55 69.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -11.52 31.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.9 m -88.67 -64.78 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -88.12 -38.28 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 63.3 40.16 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.57 -37.59 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -129.28 134.07 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.48 -168.8 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -138.46 166.61 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -62.99 -27.18 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.613 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.1 p -155.72 -176.52 6.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.477 HG22 ' HG3' ' A' ' 52' ' ' LYS . 36.2 mt -70.86 -56.3 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.9 mt-10 -33.84 -53.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.22 96.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.6 tp -59.03 -52.93 63.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HG3' HG22 ' A' ' 48' ' ' ILE . 7.6 mtmp? -37.08 -53.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t60 -67.3 -54.14 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 ptp -66.28 -23.68 66.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.79 -23.77 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -123.05 -39.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' GLN . 6.1 t -59.82 -35.24 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -47.12 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' CYS . 39.7 mt-30 -119.55 170.67 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.47 128.34 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 73' ' ' ARG . 3.5 mmt -94.67 157.24 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.03 164.57 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.1 m -157.32 112.69 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 1.4 t -52.79 161.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.522 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 29.7 m80 -105.3 -40.28 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -47.82 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.87 -43.83 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.88 32.11 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.0 ttmm -69.55 155.76 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.746 0.307 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.48 108.43 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD11 ' HD3' ' A' ' 70' ' ' LYS . 51.8 mt -128.76 144.77 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.476 ' HA ' ' CE ' ' A' ' 62' ' ' MET . 31.7 ttp180 -63.6 -57.89 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 p -74.09 114.75 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.56 -45.12 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.54 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.35 -46.14 16.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -63.36 -61.68 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -43.9 -21.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' MET . 40.4 t80 -87.8 -34.16 18.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.638 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -61.14 -23.18 65.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.2 t -80.72 -51.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.23 -16.65 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.05 -60.26 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -74.36 -52.07 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -89.67 46.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -77.32 99.52 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -117.72 78.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.574 ' O ' HD12 ' A' ' 89' ' ' LEU . 4.1 pp -62.48 129.78 92.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -130.04 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.35 174.97 34.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 0.06 6.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.74 2.294 . . . . 0.0 112.37 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 p -155.07 167.29 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -92.14 -46.29 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.536 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -172.31 167.57 5.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -166.93 173.8 9.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.47 -179.47 29.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -156.64 176.46 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -174.36 171.23 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -178.4 20.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -151.76 165.77 33.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' H ' ' CD1' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -83.26 172.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -130.03 -69.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -150.37 176.97 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.39 131.86 20.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.679 0.752 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 173.42 11.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.1 -38.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.1 164.76 12.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.66 171.62 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.088 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.09 75.2 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 38.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -120.65 179.29 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD21 ' NH2' ' A' ' 73' ' ' ARG . 11.7 mt -71.02 -53.73 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' LEU . 12.0 mt-10 -36.29 -41.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.97 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 27' ' ' LEU . 79.2 mt-30 -57.88 -56.81 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CZ2' HD13 ' A' ' 21' ' ' LEU . 26.8 m0 -51.5 -42.28 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 30' ' ' VAL . 84.4 t80 -54.96 -47.85 73.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 24' ' ' GLN . 16.0 mt -55.32 -53.77 51.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -46.01 -22.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 26' ' ' TYR . 11.4 mt -91.21 -57.75 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -57.08 -14.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -100.66 -41.01 7.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -107.56 -53.13 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 141.19 -16.21 2.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -157.52 170.11 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.7 p -123.84 146.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -94.91 157.79 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 12.1 t -66.78 111.5 7.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HD2' HD11 ' A' ' 51' ' ' LEU . 54.1 Cg_endo -69.76 -3.44 12.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.633 HG21 ' O ' ' A' ' 59' ' ' LYS . 4.1 m -103.41 -57.18 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -95.36 -29.16 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 55.6 46.38 22.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.72 -40.01 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.31 144.84 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -113.57 -178.74 19.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 44' ' ' GLY . 25.5 mmt-85 -135.77 156.66 48.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -53.73 -51.54 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -129.87 166.72 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.5 mt -51.48 -38.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -50.16 -56.92 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.62 -40.2 92.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.628 HD11 ' HD2' ' A' ' 38' ' ' PRO . 5.5 tp -62.61 -54.16 43.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.962 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.3 -55.54 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -31.15 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -71.04 -55.11 8.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.5 ptm -66.18 -21.66 66.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.52 -40.07 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -108.3 -41.53 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.33 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.633 ' O ' HG21 ' A' ' 39' ' ' THR . 23.1 tptt -173.72 134.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -134.06 71.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -151.98 171.57 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.2 mmm -119.16 -179.86 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -119.68 138.19 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -141.01 118.16 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 19.1 t -56.34 158.95 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.407 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 71.6 m80 -107.71 -34.52 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -58.31 -56.89 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.0 p -104.07 -46.5 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.56 32.83 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HD3' HD11 ' A' ' 72' ' ' LEU . 28.9 tttm -71.95 157.9 37.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.91 105.16 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.566 HD11 ' HD3' ' A' ' 70' ' ' LYS . 10.7 mt -128.71 152.65 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.523 ' NH2' HD21 ' A' ' 21' ' ' LEU . 72.2 mtp180 -79.19 -55.29 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -75.37 114.97 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.51 -43.22 55.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.17 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.88 -47.21 25.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 81' ' ' HIS . 31.0 ttm -63.19 -62.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -39.68 -29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' MET . 49.0 t80 -77.61 -38.75 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.9 OUTLIER -52.96 -32.37 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -50.02 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.27 -20.6 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.12 -61.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -73.4 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.74 39.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -57.99 147.86 27.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.2 p -118.37 137.47 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.68 152.48 74.56 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 161.62 45.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -78.16 94.02 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.25 174.13 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 172.85 11.95 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' SER . 99.1 p -69.71 -23.49 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' SER . 28.3 t 35.82 46.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.494 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -172.26 168.51 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -174.66 170.86 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.16 -169.15 42.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -171.02 154.85 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -154.77 176.57 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.3 113.76 3.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -101.66 43.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt 39.25 49.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -126.74 94.98 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -164.23 120.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.38 128.26 4.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 53.6 Cg_endo -69.75 167.16 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.48 2.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -43.21 -38.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.06 161.71 21.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 20' ' ' SER . . . -68.76 159.27 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HB2' ' HG3' ' A' ' 13' ' ' PRO . . . -84.89 81.77 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.39 51.37 0.92 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 2.9 m -125.95 165.62 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 52.0 mt -62.44 -39.94 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' LEU . 36.3 mt-10 -36.7 -59.08 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.71 -56.99 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 27' ' ' LEU . 71.1 mt-30 -49.75 -63.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -46.75 -47.23 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 30' ' ' VAL . 71.4 t80 -52.53 -49.95 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HA ' HG22 ' A' ' 30' ' ' VAL . 24.1 mt -51.6 -52.61 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -48.03 -21.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 47' ' ' THR . 38.3 mt -92.26 -47.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -66.27 -15.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.3 t0 -99.32 -50.65 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.3 mmpt? -97.3 -44.83 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.76 -14.06 5.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.7 p -155.7 168.36 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.5 p -117.71 147.58 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -102.98 162.82 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.51 ' HA ' HD11 ' A' ' 51' ' ' LEU . 46.7 t -73.76 111.94 14.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.4 Cg_endo -69.79 -3.92 13.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 58' ' ' CYS . 25.2 m -94.44 -51.85 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -112.04 -26.59 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' CYS . 76.6 mt-30 58.65 39.33 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.2 -41.2 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.541 ' CG2' ' CE1' ' A' ' 54' ' ' HIS . 26.7 m -132.2 142.27 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.57 -176.3 18.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.16 147.73 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -41.01 -56.14 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.648 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -130.53 171.54 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -50.3 -54.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ILE . 50.0 mt-10 -37.18 -50.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -64.73 -42.36 97.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 37' ' ' CYS . 7.9 tp -61.57 -51.46 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -45.69 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -64.78 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.541 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 48.3 t-80 -75.88 -50.84 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.505 ' HB2' ' HE3' ' A' ' 55' ' ' MET . 6.8 ptm -67.41 -28.24 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.85 -39.1 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -103.94 -2.36 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.548 ' O ' HG21 ' A' ' 39' ' ' THR . 42.0 t -112.99 20.0 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 173.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.542 ' NE2' HG23 ' A' ' 39' ' ' THR . 0.4 OUTLIER -109.75 142.13 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -48.81 138.93 10.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.6 mtp -120.04 168.77 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' A' ' 75' ' ' LEU . 5.3 m-85 -125.26 177.76 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.5 m -161.15 117.84 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.6 OUTLIER -60.13 160.83 7.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.502 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 22.4 m170 -100.29 -39.8 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 26.9 m-70 -55.23 -72.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 p -88.61 -47.76 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 40.04 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -79.11 162.78 25.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -134.64 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.8 mt -115.33 141.56 47.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -67.77 -25.7 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.6 t -105.37 150.67 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 15.2 tp -84.1 -48.2 10.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.63 -61.31 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.12 -44.86 20.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' HIS . 19.3 ttm -64.65 -64.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 78' ' ' MET . 9.6 mtmp? -39.1 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.6 t80 -82.45 -40.08 21.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -53.82 -25.07 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -72.99 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -62.68 -23.87 67.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.01 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 81' ' ' HIS . 4.6 m120 -64.26 -61.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 48.9 m-70 -73.29 -43.57 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' SER . 14.5 p30 39.41 35.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' ASN . 54.3 p -34.59 108.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.46 130.94 87.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.32 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 t -75.45 95.72 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.43 179.05 15.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 174.14 9.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 65.3 m -78.69 152.42 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 t -107.13 144.66 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.45 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m 62.45 42.8 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -70.36 149.44 47.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.39 158.15 19.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -99.93 160.39 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -119.08 -46.37 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.42 -150.05 17.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -146.39 169.02 19.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.64 117.79 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -109.22 129.95 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -92.99 128.77 38.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.18 138.49 27.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.706 0.765 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.0 Cg_endo -69.78 164.9 32.84 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG13 ' CD1' ' A' ' 16' ' ' TYR . 7.9 p -34.1 -40.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CD1' HG13 ' A' ' 15' ' ' VAL . 1.9 m-85 -59.77 143.96 49.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.16 172.63 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.45 78.37 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.68 53.82 0.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -133.31 173.39 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 9.4 mt -55.35 -59.22 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 42.9 mt-10 -34.46 -46.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.09 -52.46 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -51.16 -53.52 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.3 m0 -53.41 -56.43 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.726 ' HA ' HD12 ' A' ' 29' ' ' ILE . 66.1 t80 -38.79 -56.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HA ' HG22 ' A' ' 30' ' ' VAL . 97.4 mt -47.85 -59.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -40.88 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 26' ' ' TYR . 8.4 mt -90.15 -49.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.8 m -64.8 -15.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -101.52 -33.31 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -113.95 -55.46 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 142.7 -19.75 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 p -148.84 178.16 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.7 p -138.2 153.1 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 t -95.59 162.14 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 51' ' ' LEU . 50.0 t -78.65 113.92 38.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.465 HG21 ' O ' ' A' ' 58' ' ' CYS . 4.1 m -96.07 -50.8 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.3 p -117.92 -26.07 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' CYS . 48.1 mt-30 59.84 44.62 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.74 -34.64 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.07 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -117.01 -176.47 17.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -142.23 152.36 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' O ' HG23 ' A' ' 47' ' ' THR . 32.8 mttp -61.29 -12.2 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 46' ' ' LYS . 0.8 OUTLIER -159.77 -177.09 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 52' ' ' LYS . 31.2 mt -83.05 -46.98 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.1 -40.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -32.84 30.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 37' ' ' CYS . 11.4 tp -68.43 -48.09 65.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.729 ' HD2' HG22 ' A' ' 48' ' ' ILE . 4.6 mtpm? -46.72 -47.04 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -62.27 -35.14 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -71.76 -54.15 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 ptp -63.65 -25.9 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.01 -29.16 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -112.44 -1.98 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.465 ' O ' HG21 ' A' ' 39' ' ' THR . 5.1 t -89.27 12.56 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttt 69.62 53.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.422 ' HA ' HG23 ' A' ' 39' ' ' THR . 7.1 pt20 -66.84 107.56 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -161.48 144.83 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 mmm -111.36 173.27 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 13.2 m-85 -117.82 128.83 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 m -134.2 112.25 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -59.18 162.59 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 34.1 m80 -107.03 -38.71 5.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -52.49 -62.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.37 -43.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.16 44.04 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -86.68 163.18 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.724 0.297 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -134.13 105.76 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.52 128.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -55.67 -42.39 75.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.5 m -89.11 134.78 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 46.7 tp -70.66 -56.58 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -39.37 -63.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.22 -43.82 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' HIS . 21.7 ttm -64.59 -58.06 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -46.17 -20.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' MET . 14.2 t80 -89.21 -31.4 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' ND1' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -63.91 -24.24 67.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.41 -54.99 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 69.5 mtm -65.53 -9.65 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -59.88 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -82.39 -52.17 7.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -86.26 39.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 20.6 t-20 -65.8 108.98 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.2 p -97.45 -37.22 10.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 71.8 mt -54.12 153.78 8.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.594 0.711 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.63 16.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -53.28 145.17 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.07 128.91 2.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.47 63.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -106.04 156.25 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.8 p -79.29 -52.97 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.504 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -93.83 150.03 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -97.68 87.56 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.72 -64.18 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -174.23 176.28 2.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -155.05 138.64 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.77 173.05 45.38 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -149.07 143.96 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 pt -131.24 140.29 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -147.26 128.79 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -105.03 36.28 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -85.51 160.3 54.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.17 18.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.264 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -56.08 -30.72 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' OH ' ' CD1' ' A' ' 26' ' ' TYR . 8.4 m-85 -66.12 134.98 53.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB3' ' OG ' ' A' ' 20' ' ' SER . . . -56.2 166.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.03 77.62 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.0 -33.42 2.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.815 ' OG ' ' HB3' ' A' ' 17' ' ' ALA . 15.7 p -52.46 150.25 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 11.6 mt -51.82 -35.27 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -50.59 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.79 -50.78 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 27' ' ' LEU . 62.0 mt-30 -59.45 -60.36 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CZ2' HD13 ' A' ' 21' ' ' LEU . 22.5 m0 -44.6 -45.76 9.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 29' ' ' ILE . 76.6 t80 -56.71 -48.38 77.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 24' ' ' GLN . 82.4 mt -48.97 -54.42 15.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -44.63 -26.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 26' ' ' TYR . 16.3 mt -83.52 -55.8 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.7 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.0 m -59.07 -15.79 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -97.86 -43.83 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -109.01 -51.58 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 132.77 -5.0 5.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -157.91 147.4 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.83 136.53 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 t -76.61 170.13 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.64 120.93 64.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.81 -4.9 15.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -95.19 -62.48 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.14 -28.94 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 57.14 37.96 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.64 -35.45 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.35 175.45 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.65 159.21 28.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HG2' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -100.69 173.97 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -70.66 -45.44 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.89 -177.62 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 26' ' ' TYR . 6.2 mm -65.15 -53.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -43.59 -59.27 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HG2' ' A' ' 45' ' ' ARG . . . -44.72 -43.52 8.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HD2' ' A' ' 38' ' ' PRO . 12.7 tp -61.87 -47.32 85.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' A' ' 52' ' ' LYS . 1.2 mpmm? -45.99 -58.18 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.9 -31.46 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 72.8 t60 -71.37 -51.6 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.0 ptm -72.38 -10.77 60.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.86 -39.1 93.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -107.3 -38.35 5.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' GLN . 49.2 t -41.56 -36.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.1 mtpt -33.16 93.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' CYS . 29.3 mt-30 -56.52 108.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -164.03 128.87 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.6 mtp -145.62 174.08 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.49 166.7 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -147.19 129.69 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 18.3 t -63.6 162.21 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.462 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 19.1 m80 -102.83 -37.81 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -60.87 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -101.26 -48.1 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.41 23.99 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -61.96 155.15 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.94 102.75 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 78' ' ' MET . 22.0 mt -112.45 147.73 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -71.95 -27.33 62.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -112.24 152.33 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -80.11 -42.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.54 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.46 -36.68 3.28 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.743 ' HA ' HD12 ' A' ' 72' ' ' LEU . 26.0 ttm -67.96 -58.12 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -43.85 -21.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 24.7 t80 -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.56 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -50.07 -33.71 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.463 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 73.6 t -64.94 -42.47 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 45.2 mtm -82.58 18.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.54 -37.76 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.44 -24.38 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -104.39 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 74.83 39.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.5 t -165.15 147.61 8.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.95 152.7 37.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.565 0.698 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.28 28.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.231 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 t -112.59 111.65 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.9 -155.64 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.07 13.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.9 m -80.3 -60.26 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 t -158.94 172.51 18.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.507 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -149.72 152.8 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -161.11 177.76 9.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.91 -171.93 27.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -149.61 151.47 33.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -165.58 172.91 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.23 170.87 40.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 8' ' ' ARG . 9.7 ttm105 -171.81 157.12 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 pt -97.63 177.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -115.35 -64.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 132.85 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.77 150.01 78.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.71 69.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.1 5.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.1 p -50.61 -48.39 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.537 ' N ' HG13 ' A' ' 15' ' ' VAL . 1.7 m-85 -48.86 150.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.99 167.28 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.27 40.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.18 46.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -125.63 170.77 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 15.1 mt -73.05 -44.65 60.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -41.48 -41.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.27 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -57.01 -54.65 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.4 m0 -56.93 -35.25 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE2' HG11 ' A' ' 30' ' ' VAL . 79.5 t80 -59.96 -53.53 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' HA ' HG22 ' A' ' 30' ' ' VAL . 82.3 mt -50.96 -58.99 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.79 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 47' ' ' THR . 29.8 mt -89.43 -46.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -70.07 -13.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.93 -33.89 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -114.27 -45.29 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 129.87 -16.77 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.4 p -154.77 168.89 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.43 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.9 p -119.79 150.55 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.3 t -100.79 166.64 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' HD11 ' A' ' 51' ' ' LEU . 47.9 t -76.27 112.26 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.64 ' HD2' HD11 ' A' ' 51' ' ' LEU . 54.0 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.545 HG21 ' O ' ' A' ' 58' ' ' CYS . 22.6 m -100.85 -52.53 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -107.52 -24.42 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' CYS . 66.0 mt-30 55.1 40.95 32.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.32 -34.41 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.17 175.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -146.4 175.85 25.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 15.9 mmt180 -132.4 151.95 51.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -46.03 -53.41 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.533 ' HA ' HD13 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -129.7 177.73 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLU . 49.3 mt -57.47 -53.88 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ILE . 61.0 mt-10 -37.96 -50.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.53 -58.71 12.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 ' HD2' ' A' ' 38' ' ' PRO . 3.6 tp -48.11 -53.33 16.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LEU . 61.6 mttt -37.44 -55.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.32 -34.01 70.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LEU . 40.0 t-80 -70.78 -46.25 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.9 ptm -76.28 -8.71 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.01 -35.83 74.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -113.82 -0.44 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' O ' HG21 ' A' ' 39' ' ' THR . 43.7 t -103.48 22.06 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -73.51 142.59 46.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.2 175.02 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.57 135.35 34.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -112.16 144.31 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.491 ' N ' ' HG3' ' A' ' 62' ' ' MET . 8.1 m-85 -81.84 136.68 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -141.03 114.91 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -53.21 161.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.498 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.3 t-80 -103.61 -39.9 6.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -57.53 -69.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -90.18 -44.44 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.41 31.28 4.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' HD11 ' A' ' 72' ' ' LEU . 15.8 tttp -65.79 160.05 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -135.6 106.68 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 78' ' ' MET . 68.2 mt -128.51 150.98 49.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -79.8 -44.27 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 m -86.31 111.78 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 tp -48.07 -46.96 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.47 -72.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.37 -45.14 1.79 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.516 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -62.96 -54.2 42.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -46.8 -24.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -48.01 -35.98 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.457 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 77.2 t -69.67 -42.42 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.4 mtm -82.62 19.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.62 -29.35 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -116.89 -52.57 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -72.8 -68.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -99.36 75.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.34 156.91 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.88 129.1 92.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.61 9.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.23 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 t -42.09 -52.63 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.91 -101.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.3 42.6 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -98.48 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.1 t -57.19 -45.98 83.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.457 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -144.64 150.82 38.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.846 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -147.83 163.28 37.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.66 -151.97 5.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -162.58 172.65 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -128.34 174.05 9.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.96 -127.33 3.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -138.89 129.21 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tt -71.85 147.13 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -77.87 132.73 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 146.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.76 126.07 60.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.08 8.74 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.3 p -40.43 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -101.94 168.79 9.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 174.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.097 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.02 39.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.75 49.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -117.77 176.95 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.84 -43.13 25.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -45.63 -38.33 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . 14.8 tt0 -63.66 -55.55 22.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.0 -61.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' HB3' HG21 ' A' ' 35' ' ' VAL . 23.3 m0 -47.23 -49.33 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.622 ' HA ' HD12 ' A' ' 29' ' ' ILE . 84.8 t80 -48.94 -47.26 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' HA ' HG22 ' A' ' 30' ' ' VAL . 37.1 mt -57.43 -49.03 77.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.82 -15.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 26' ' ' TYR . 15.5 mt -97.45 -48.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.591 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.4 m -65.62 -17.66 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -97.6 -37.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -109.58 -57.29 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 146.22 -16.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.0 p -157.06 169.07 25.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -124.18 144.14 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.4 t -99.7 150.92 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.12 115.75 11.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -4.15 13.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -95.56 -61.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -99.09 -32.87 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 64.45 37.7 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.15 -35.33 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.02 156.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.74 -171.0 12.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 2.7 mmp_? -145.89 153.58 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -47.25 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.27 155.88 48.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.8 mt -41.62 -51.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ILE . 9.9 pt-20 -36.83 -49.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.39 -54.64 32.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 5.6 tp -53.5 -47.31 69.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -40.88 -53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -58.66 -34.2 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.54 -50.8 33.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.4 ptp -73.1 -22.09 60.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.91 -16.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -132.27 -35.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.6 -46.77 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -42.84 119.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.67 148.77 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.76 139.6 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 mtp -140.14 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -129.41 163.76 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 71' ' ' GLN . 1.8 m -163.97 116.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 4.4 t -59.53 160.33 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.467 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 79.2 m-70 -104.91 -37.58 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -54.68 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.82 -46.96 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.14 36.91 2.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -78.45 151.77 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 64' ' ' THR . 34.3 mt-30 -126.23 103.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 78' ' ' MET . 45.2 mt -117.07 148.07 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -66.95 -55.55 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -81.09 159.82 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 tp -88.05 -52.66 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.3 -58.23 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.47 -44.58 53.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.4 ttm -67.65 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 78' ' ' MET . 25.7 mttt -37.83 -27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -81.26 -43.68 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.63 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -48.6 -25.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 86' ' ' HIS . 73.2 t -75.6 -42.47 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.7 mtm -80.62 14.23 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.35 -55.49 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -85.01 -42.02 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.54 ' HD2' HG13 ' A' ' 82' ' ' VAL . 18.2 m-70 -85.8 -47.79 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' HIS . 11.2 t-20 34.38 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' HIS . 56.7 p -107.4 114.45 28.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.66 131.51 21.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.31 59.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.302 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 t -55.65 99.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.45 125.83 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.37 28.46 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.5 m -102.77 124.97 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -122.45 95.51 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -173.12 146.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -160.86 169.98 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.78 170.47 42.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -170.44 159.6 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -173.71 169.11 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.48 127.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -123.33 112.86 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 tt -80.37 128.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -148.77 114.81 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -161.47 108.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -133.33 152.97 80.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 143.17 50.18 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -174.52 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.632 2.222 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.73 -32.43 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.74 139.98 58.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 172.21 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.92 77.78 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 45.94 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -128.61 177.74 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 20.8 mt -67.95 -43.11 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -41.84 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -53.6 -52.84 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HA ' HD12 ' A' ' 27' ' ' LEU . 27.1 mt-30 -47.77 -67.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 21.5 m0 -46.07 -53.16 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.679 ' O ' HG13 ' A' ' 30' ' ' VAL . 65.4 t80 -41.09 -47.67 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HA ' HG22 ' A' ' 30' ' ' VAL . 12.3 mt -57.6 -54.28 48.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.69 -24.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.3 mt -90.71 -52.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.5 m -62.71 -13.99 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -101.87 -42.21 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -107.76 -47.88 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 137.18 -19.13 3.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -155.0 171.45 19.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.45 142.2 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 t -95.83 165.02 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 17.2 t -73.09 112.53 15.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.9 Cg_endo -69.77 -1.79 9.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 58' ' ' CYS . 26.7 m -103.15 -59.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.04 -30.52 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 59.27 44.9 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.19 -41.48 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.78 151.86 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.81 -173.4 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -138.27 149.98 46.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -51.34 -50.38 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -126.51 172.68 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLU . 37.8 mt -59.22 -51.49 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ILE . 69.2 mm-40 -37.91 -52.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.18 -55.31 30.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' HIS . 3.7 tp -50.7 -51.87 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 64.5 mttt -41.55 -47.99 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.64 72.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.5 t60 -71.66 -55.04 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' GLU . 9.9 ptm -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mm-40 -34.2 -39.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -13.23 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' MET . 42.1 t -106.5 22.84 15.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -89.81 37.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -143.98 -177.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -118.95 137.38 53.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mtp -150.98 178.71 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.517 ' CE2' HD13 ' A' ' 75' ' ' LEU . 30.0 m-85 -134.2 174.31 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m -154.56 122.25 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 6.6 t -59.49 161.79 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.48 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.8 m170 -103.94 -38.6 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.19 -66.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.85 -47.57 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.75 26.71 4.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HD3' HD11 ' A' ' 72' ' ' LEU . 27.4 tttm -63.84 154.4 33.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -134.9 101.82 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 ' HD3' ' A' ' 70' ' ' LYS . 16.8 mt -121.58 152.84 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 m -85.53 121.16 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.517 HD13 ' CE2' ' A' ' 63' ' ' PHE . 13.8 tp -56.75 -45.51 81.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 -66.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.15 -46.13 10.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.508 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 27.1 ttm -59.36 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -42.39 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -81.2 -38.93 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.7 OUTLIER -50.82 -34.45 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 93.6 t -69.52 -45.09 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 mtm -55.23 -19.24 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.4 -67.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.54 -27.35 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ASN . 11.6 m-70 -134.39 -173.39 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.5 m120 34.16 48.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -170.35 141.81 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -99.3 127.84 33.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.19 67.93 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.9 t -68.68 174.02 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 93' ' ' PRO . . . -121.34 113.98 2.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 95' ' ' SER . 54.0 Cg_endo -69.77 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -61.68 75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' PRO . 60.5 p -120.72 153.47 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -115.25 166.57 11.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -164.54 170.05 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.96 -153.4 6.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -136.32 144.07 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -157.8 151.34 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.25 86.82 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.15 111.19 23.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.4 mt -124.86 147.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' LYS . 12.9 mmm180 -114.7 50.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' ARG . 9.2 pttt 34.42 37.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' ARG . 48.1 mt-10 -74.29 122.34 87.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.88 69.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -176.38 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.4 p -54.02 -44.56 62.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -90.51 163.49 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.84 170.98 15.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.63 47.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.55 39.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 p -116.64 149.92 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.4 mt -41.06 -35.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 16' ' ' TYR . 15.5 mt-10 -51.75 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -44.18 -49.6 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.89 -62.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.428 ' HB3' HG21 ' A' ' 35' ' ' VAL . 31.1 m0 -46.46 -43.47 16.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.757 ' CE2' HG11 ' A' ' 30' ' ' VAL . 79.5 t80 -51.55 -53.89 33.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.484 ' HA ' HG22 ' A' ' 30' ' ' VAL . 15.9 mt -48.44 -56.46 8.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.63 -31.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 47' ' ' THR . 31.1 mt -83.35 -56.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.757 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -57.25 -17.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.9 t0 -97.6 -58.72 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 9.9 mmpt? -90.92 -50.08 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.48 -15.95 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 p -152.26 168.22 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.2 p -121.36 145.43 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.8 t -93.84 166.36 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.2 t -85.16 118.74 71.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.43 18.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.977 HG21 ' HA ' ' A' ' 59' ' ' LYS . 7.4 m -96.38 -64.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.9 p -88.18 -33.35 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 57.95 39.75 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.09 -42.03 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.17 174.44 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.61 179.95 26.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 21.7 mtp85 -130.75 170.09 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.02 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.51 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.5 p -120.79 -175.75 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.507 HG22 ' HE3' ' A' ' 52' ' ' LYS . 11.8 mt -78.87 -51.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' ILE . 7.7 mm-40 -35.9 -53.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -61.78 -39.71 97.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.3 tp -61.81 -51.68 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HE3' HG22 ' A' ' 48' ' ' ILE . 23.5 mttt -41.33 -47.1 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -33.2 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . 12.4 t-80 -71.72 -55.4 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ptp -62.58 -25.91 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.21 -47.78 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.35 -36.74 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -58.0 -43.76 86.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.977 ' HA ' HG21 ' A' ' 39' ' ' THR . 18.5 ttpt -41.89 111.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -89.15 -176.75 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.598 ' O ' ' CZ ' ' A' ' 63' ' ' PHE . 8.6 pt-20 -113.71 -174.68 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.491 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 70.2 mmm -60.84 167.3 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' GLU . 11.4 m-85 -144.38 -179.95 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -164.87 117.4 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 36.5 t -56.64 161.35 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.6 m-70 -109.1 -34.49 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.54 -49.09 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -112.96 -44.98 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 26.98 5.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HD3' HD11 ' A' ' 72' ' ' LEU . 14.5 tttp -63.8 153.43 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -134.21 102.58 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD11 ' HD3' ' A' ' 70' ' ' LYS . 11.3 mt -120.16 167.34 12.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -53.74 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.5 p -85.17 128.77 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.77 -57.34 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -38.86 -60.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.03 -42.28 11.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.0 ttm -71.22 -61.47 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -40.97 -27.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' MET . 8.7 t80 -80.68 -37.69 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.5 p-80 -52.89 -38.17 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.416 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 60.0 t -63.95 -47.31 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.4 mtm -70.96 -9.64 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.63 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 1.1 p30 -84.52 -54.11 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.418 ' CD2' ' OD1' ' A' ' 85' ' ' ASN . 42.6 m-70 -82.8 54.45 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.7 111.94 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -79.52 110.04 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.512 HD21 ' HA3' ' A' ' 92' ' ' GLY . 3.0 tp -132.74 128.35 20.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.34 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.1 m -143.15 148.98 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.512 ' HA3' HD21 ' A' ' 89' ' ' LEU . . . 167.48 98.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.19 2.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -52.97 121.33 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.5 p -98.29 163.15 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.476 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -124.89 111.51 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -81.84 103.97 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.86 164.9 11.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -48.23 130.91 16.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -99.32 81.09 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.46 132.56 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.89 162.19 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.13 123.33 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -97.36 -49.06 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -129.65 110.0 11.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.61 143.8 26.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.64 51.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.66 12.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.8 p -44.53 -42.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' N ' HG13 ' A' ' 15' ' ' VAL . 1.9 m-85 -57.55 154.34 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.67 167.69 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.18 77.54 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.86 54.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.28 168.33 20.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.565 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 22.5 mt -47.69 -38.57 15.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -50.19 -59.6 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.2 -43.61 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.32 -59.21 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 31.9 m0 -52.53 -37.49 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 29' ' ' ILE . 67.0 t80 -57.51 -46.66 83.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 30' ' ' VAL . 40.2 mt -50.43 -58.79 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -39.83 -30.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 26' ' ' TYR . 15.9 mt -80.05 -56.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.3 m -55.07 -18.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -94.08 -56.04 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -95.6 -49.77 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 139.13 -19.39 3.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -155.42 138.71 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 25' ' ' TRP . 10.6 p -88.25 156.86 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 35' ' ' VAL . 40.0 t -102.75 162.07 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.3 111.95 10.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.752 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.76 -1.4 8.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.737 2.292 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -106.4 -56.08 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.96 -25.01 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 51.36 38.39 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.99 -38.89 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.82 137.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.93 173.56 16.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG3' ' C ' ' A' ' 50' ' ' GLY . 15.3 mmm180 -126.7 157.28 39.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -58.9 -47.17 85.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.95 -179.85 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.431 HG13 ' CE1' ' A' ' 16' ' ' TYR . 5.5 mm -64.28 -55.69 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.3 mt-10 -36.41 -50.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -58.05 -51.93 55.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.752 HD11 ' HD2' ' A' ' 38' ' ' PRO . 9.5 tp -55.4 -56.67 17.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -42.91 -56.42 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.59 -33.22 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.07 -54.14 29.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.61 -25.65 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -52.94 -36.11 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.69 -43.2 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -43.73 -72.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' SG ' ' A' ' 58' ' ' CYS . 17.5 tppt? -169.16 146.68 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -130.06 2.48 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.978 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -145.76 124.17 12.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 mtp -146.34 171.44 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 1.1 m-85 -131.92 146.43 52.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.441 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m -144.04 115.83 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.7 OUTLIER -45.72 161.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 1.3 t60 -101.43 -40.12 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -52.22 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -96.4 -47.32 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 38.92 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -78.64 152.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -123.55 111.59 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 78' ' ' MET . 24.8 mt -118.72 175.04 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -90.26 -61.11 1.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.1 m -83.34 109.65 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.0 tp -40.86 -43.57 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.71 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.16 -39.88 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.553 ' HA ' HD12 ' A' ' 72' ' ' LEU . 27.8 ttm -68.41 -63.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -40.95 -23.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 11.2 t80 -84.75 -38.06 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.642 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.17 -29.58 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.484 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 39.6 t -69.19 -64.7 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -57.76 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.28 -72.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -62.02 -61.43 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -68.1 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.4 t30 65.33 43.85 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.5 t -137.51 112.28 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -46.3 138.9 6.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.28 60.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 t -91.14 96.92 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.81 129.8 22.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -173.33 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.1 t -108.43 131.83 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.0 m -84.41 164.13 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.509 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 61.16 44.52 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -163.64 142.4 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.07 122.74 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -154.12 133.13 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -161.71 170.55 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -83.75 21.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -73.75 131.35 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -145.22 138.15 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -174.18 145.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -172.09 151.53 2.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.729 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 145.22 56.82 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.01 7.34 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.6 -37.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.56 158.33 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 174.39 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.11 40.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.49 42.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -124.35 164.21 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 18.0 mt -60.92 -45.92 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -43.59 -48.45 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -44.59 87.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.64 -65.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' HB3' HG21 ' A' ' 35' ' ' VAL . 19.2 m0 -43.45 -49.21 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.704 ' CE2' HG11 ' A' ' 30' ' ' VAL . 81.9 t80 -45.63 -55.33 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -44.58 -58.37 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -39.88 -30.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 26' ' ' TYR . 27.4 mt -81.3 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.704 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.6 m -55.16 -16.37 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 5.3 t0 -97.87 -55.69 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.8 mmpt? -93.93 -53.62 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 144.93 -22.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -158.84 147.47 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 25' ' ' TRP . 13.5 p -94.63 143.46 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -97.14 159.27 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 t -60.87 113.44 7.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.576 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.8 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.653 HG21 ' O ' ' A' ' 58' ' ' CYS . 27.2 m -102.71 -59.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -96.29 -28.89 14.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 58.53 42.51 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.23 -42.17 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.62 134.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.16 173.42 14.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 9.8 mtp180 -131.98 157.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -58.65 -48.1 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 p -117.05 171.78 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 49' ' ' GLU . 21.3 mt -73.54 -50.11 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.4 tt0 -32.74 -57.0 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -59.54 -45.41 95.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.576 HD11 ' HD2' ' A' ' 38' ' ' PRO . 7.2 tp -56.82 -52.13 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -38.97 -53.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' LEU . 78.8 t60 -68.25 -50.27 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ptp -68.51 -31.65 71.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -45.25 -46.83 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -101.72 -22.1 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.653 ' O ' HG21 ' A' ' 39' ' ' THR . 49.0 t -94.68 28.0 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' C ' HG21 ' A' ' 39' ' ' THR . 11.4 pttp -66.46 -3.18 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 61' ' ' GLU . 1.4 tp-100 -117.63 144.87 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 13.1 mt-10 -55.09 149.44 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.7 mmm -135.61 178.17 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CG ' ' CD1' ' A' ' 75' ' ' LEU . 4.8 m-85 -120.71 167.68 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.9 m -164.4 115.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 3.3 t -57.37 161.98 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.3 p-80 -109.35 -35.96 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -51.6 -48.12 63.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.39 -43.57 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.87 39.23 1.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.7 ttmm -78.92 154.7 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -131.58 104.51 6.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 78' ' ' MET . 94.6 mt -122.69 134.04 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -53.7 -48.82 69.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.4 m -88.81 133.64 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' CD1' ' CG ' ' A' ' 63' ' ' PHE . 5.9 tp -69.72 -42.52 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.49 -69.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.82 -42.67 11.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.536 ' HA ' HD12 ' A' ' 72' ' ' LEU . 33.5 ttm -63.08 -66.38 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -39.58 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' MET . 25.6 t80 -83.07 -38.59 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.661 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.83 -26.23 57.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.435 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 78.3 t -72.85 -37.9 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 47.1 mtm -84.55 15.73 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.72 -26.8 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -119.75 -37.54 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -102.13 102.41 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 74.93 47.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 t -127.97 -50.75 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -79.85 150.23 71.94 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.29 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -153.37 171.87 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.18 121.92 12.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 102.07 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -119.04 125.74 50.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 m -169.23 156.68 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.465 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -173.19 146.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -94.89 165.23 12.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 95.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -166.12 133.91 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -125.07 -55.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.26 163.32 12.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -154.54 155.81 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 9' ' ' ILE . 4.7 mp -129.32 136.37 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -108.49 93.43 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -156.22 146.06 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 tt0 -160.06 141.04 9.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.709 0.766 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 12' ' ' GLU . 53.7 Cg_endo -69.79 167.74 23.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.5 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 16' ' ' TYR . 6.0 p -45.55 -27.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' CD2' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -124.56 166.91 15.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.78 166.84 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.08 49.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -138.91 167.34 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.49 -48.13 69.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 16' ' ' TYR . 6.5 mp0 -42.34 -43.44 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -57.8 -48.95 78.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -57.38 -60.19 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.43 ' HB3' HG21 ' A' ' 35' ' ' VAL . 39.6 m0 -47.54 -45.99 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.744 ' CE2' HG11 ' A' ' 30' ' ' VAL . 78.1 t80 -49.04 -44.91 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 30' ' ' VAL . 35.1 mt -53.4 -58.97 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.53 -28.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 26' ' ' TYR . 17.1 mt -82.15 -53.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.744 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.9 m -62.88 -12.34 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.62 -44.09 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -107.86 -52.96 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 -20.94 2.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.45 ' HB2' ' C ' ' A' ' 45' ' ' ARG . 90.6 p -153.24 142.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 51' ' ' LEU . 14.5 p -90.13 130.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -82.96 150.96 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 52.6 t -63.31 110.91 4.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.689 HG21 ' O ' ' A' ' 58' ' ' CYS . 32.7 m -101.2 -56.59 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.31 -30.36 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 63.55 41.54 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.49 -44.81 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.28 143.25 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.22 -177.67 19.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' C ' ' HB2' ' A' ' 34' ' ' SER . 3.6 tpm_? -139.11 129.89 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.403 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.626 ' HD3' HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -46.79 -19.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.626 HG23 ' HD3' ' A' ' 46' ' ' LYS . 13.8 p -141.87 174.51 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' GLU . 6.7 mt -78.81 -48.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' ILE . 5.8 mm-40 -34.05 -66.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.26 46.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 35' ' ' VAL . 7.8 tp -50.25 -54.42 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -43.49 -50.61 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -61.99 -26.3 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 78.8 t60 -79.43 -52.34 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.403 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 8.7 ptm -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.5 -42.43 54.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.39 -21.87 13.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.689 ' O ' HG21 ' A' ' 39' ' ' THR . 42.3 t -86.13 26.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 55' ' ' MET . 10.3 mmtt -78.93 109.65 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 38.2 tt0 -124.09 155.57 38.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 3.1 tp10 -122.14 137.62 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptm -121.71 178.82 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.6 m-85 -135.47 -178.94 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.443 HG23 ' CG ' ' A' ' 71' ' ' GLN . 8.5 m -158.8 111.96 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -53.05 161.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 47.4 m-70 -104.87 -38.99 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 38.3 m80 -50.48 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.7 p -100.5 -44.59 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.72 36.05 2.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 72' ' ' LEU . 3.4 tmtm? -75.8 152.88 37.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 69.9 mt-30 -131.81 115.15 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HG ' ' CD ' ' A' ' 70' ' ' LYS . 65.1 mt -127.57 166.33 18.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -56.39 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.1 p -81.22 110.04 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 31.7 tp -41.2 -56.48 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -39.26 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.21 -58.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.459 ' HA ' HD12 ' A' ' 72' ' ' LEU . 6.4 ttm -53.49 -52.05 60.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -47.43 -19.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.67 -40.05 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.455 ' ND1' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.7 -41.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.424 ' C ' ' HB2' ' A' ' 88' ' ' SER . 70.8 mtm -83.49 19.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.57 -21.73 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -126.52 -44.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.435 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 29.6 m-70 -86.07 -71.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.29 46.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.424 ' HB2' ' C ' ' A' ' 83' ' ' MET . 1.1 t -143.73 142.46 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 89' ' ' LEU . 3.9 mp -101.62 138.41 19.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.62 7.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.2 p -67.03 121.25 15.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.53 -118.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 85.08 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -56.77 128.92 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -101.06 113.94 27.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.49 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -170.49 140.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -121.42 137.05 54.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.89 100.04 0.14 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.918 0.39 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.1 p -118.33 144.92 45.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.01 163.36 20.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -113.62 114.87 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -65.17 95.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.54 161.74 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -138.22 170.87 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -140.33 137.67 18.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 149.46 66.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.21 19.41 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.1 p -37.54 -46.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -91.35 175.78 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -81.95 7.37 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . 67.6 42.45 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.89 -36.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -56.67 172.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -44.12 -45.33 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 16' ' ' TYR . 26.6 mt-10 -43.47 -52.4 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -49.67 -47.99 49.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -59.14 -63.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.477 ' HB3' HG21 ' A' ' 35' ' ' VAL . 29.9 m0 -44.31 -43.15 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CE2' HG11 ' A' ' 30' ' ' VAL . 80.5 t80 -49.96 -44.41 50.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HA ' HG22 ' A' ' 30' ' ' VAL . 13.9 mt -56.31 -55.72 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.8 -26.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' HA ' ' N ' ' A' ' 34' ' ' SER . 26.9 mt -85.62 -55.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.6 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -63.63 -10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.97 -58.21 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -87.18 -41.3 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.08 5.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.402 ' N ' ' HA ' ' A' ' 29' ' ' ILE . 79.3 p -159.35 179.07 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.6 p -126.34 148.81 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -105.87 158.14 16.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -67.39 112.34 9.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.79 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.405 HG21 ' HA ' ' A' ' 59' ' ' LYS . 72.2 m -96.92 -60.26 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -97.9 -28.99 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 59.91 42.81 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.86 -47.86 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 m -122.73 139.64 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.72 -168.74 19.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -149.75 142.39 24.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -39.96 -55.05 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -127.35 -179.16 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.447 HG22 ' HD2' ' A' ' 52' ' ' LYS . 32.3 mt -63.11 -49.6 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.5 tt0 -37.0 -52.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.76 56.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 38' ' ' PRO . 5.3 tp -52.59 -52.57 54.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HD2' HG22 ' A' ' 48' ' ' ILE . 10.3 mttm -43.91 -47.93 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -64.26 -36.16 83.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.45 -56.95 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ptp -60.64 -26.92 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.6 -22.6 62.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -131.79 13.3 4.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.0 t -121.16 -29.54 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HA ' HG21 ' A' ' 39' ' ' THR . 8.9 mtpt -45.5 91.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.6 tp-100 -47.07 169.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -76.8 175.11 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 mtp -124.84 170.37 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.44 ' CZ ' HD13 ' A' ' 75' ' ' LEU . 35.2 m-85 -126.75 158.01 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.486 HG23 ' HG2' ' A' ' 71' ' ' GLN . 7.7 m -152.68 124.29 7.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 23.1 t -64.22 161.22 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 37.7 m170 -106.05 -35.06 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -61.9 -63.03 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.3 p -95.79 -44.91 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.06 28.72 4.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -64.93 151.18 46.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.702 0.287 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG2' HG23 ' A' ' 64' ' ' THR . 14.8 mt-30 -134.83 95.64 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 78' ' ' MET . 85.9 mt -112.75 165.71 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 74' ' ' SER . 1.8 ptp180 -95.98 -31.45 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 84.4 p -94.96 111.49 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 22.2 tp -42.4 -65.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -38.4 -68.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.46 -52.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 7.2 ttm -57.74 -51.64 68.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -46.0 -33.29 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.73 -45.18 45.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -44.5 -38.23 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.52 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 87.5 t -68.96 -60.25 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.01 -15.4 22.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -72.84 -48.63 36.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -85.8 36.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.61 109.37 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -118.41 170.65 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -112.16 146.71 35.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.556 0.693 . . . . 0.0 110.928 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.15 2.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.9 p -70.42 -52.7 20.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.93 -104.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.31 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 m -107.68 -56.74 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -116.64 139.98 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.416 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -153.29 159.19 42.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -173.76 173.46 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 102.65 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -145.61 118.96 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -173.06 153.01 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.86 -158.42 28.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.97 125.36 47.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mm -86.44 92.96 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.52 130.74 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -129.6 94.78 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -174.9 141.45 0.7 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 157.18 61.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.86 3.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.4 p -47.81 -41.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' OH ' ' CD1' ' A' ' 26' ' ' TYR . 7.2 m-85 -58.28 169.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.4 160.38 29.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.24 41.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.4 47.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -139.02 169.67 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 11.7 mt -63.36 -44.48 94.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -40.59 -40.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -62.14 -49.25 76.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.6 -59.86 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.509 ' HB3' HG21 ' A' ' 35' ' ' VAL . 45.8 m0 -47.92 -28.91 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.782 ' CE2' HG11 ' A' ' 30' ' ' VAL . 87.3 t80 -69.59 -51.66 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 mt -46.85 -50.14 19.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -47.57 -27.49 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.1 mt -83.01 -57.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.782 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.3 m -61.18 -14.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.27 -41.92 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -113.38 -47.31 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.96 -11.44 5.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.4 p -152.42 158.26 42.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.6 p -106.78 137.25 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -80.86 152.31 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.55 121.29 84.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.705 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.9 Cg_endo -69.75 -7.13 20.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.399 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -88.57 -65.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.4 -32.8 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.93 35.68 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.49 -46.58 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -124.77 141.92 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.5 161.67 12.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.82 149.17 28.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -42.26 -54.13 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 p -136.26 173.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.724 HG22 ' HE3' ' A' ' 52' ' ' LYS . 29.6 mt -54.9 -30.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.45 -54.46 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.51 72.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD11 ' HD2' ' A' ' 38' ' ' PRO . 23.3 tp -64.49 -59.07 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.724 ' HE3' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -49.8 -33.95 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -75.13 -26.41 59.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -85.0 -50.91 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.9 ptm -65.69 -27.41 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 mm-40 -55.36 -43.79 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -96.47 -40.89 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' LYS . 2.4 t -54.08 -31.57 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.3 mmmt -35.1 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 60' ' ' GLN . 2.7 pp0? -79.24 54.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -83.95 126.15 32.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.483 ' HE3' ' HB2' ' A' ' 62' ' ' MET . 9.4 ptm -156.16 178.25 10.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.48 ' CD2' HD13 ' A' ' 75' ' ' LEU . 5.2 m-85 -143.72 157.52 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.2 m -151.46 126.43 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -72.11 161.84 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.526 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.2 m80 -105.45 -37.45 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -52.47 -67.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.21 -39.22 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.71 41.93 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -84.78 152.4 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -127.11 109.71 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 78' ' ' MET . 96.6 mt -122.75 159.65 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -81.0 -52.76 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -83.73 121.19 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 63' ' ' PHE . 19.0 tp -54.45 -42.34 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.78 -41.68 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.592 ' HA ' HD12 ' A' ' 72' ' ' LEU . 31.0 ttm -67.32 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -39.48 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 48.3 t80 -78.44 -38.91 40.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.646 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -55.82 -28.04 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.432 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 70.1 t -81.39 -51.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.83 -9.37 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.0 -65.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -74.15 -48.81 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -86.67 34.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -66.6 87.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -132.86 165.74 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 89' ' ' LEU . 2.8 pp -48.3 149.92 2.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 88.45 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.5 p -85.4 -175.23 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.04 132.83 2.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.3 p -153.64 137.27 16.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.4 p -86.37 175.54 8.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.5 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -101.65 167.81 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -80.55 -45.62 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.05 61.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -105.15 122.87 46.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.46 -58.62 6.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.5 -155.23 7.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -112.36 155.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.84 -17.87 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -128.07 92.63 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -114.26 121.9 45.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -157.39 145.27 14.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.47 9.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.51 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 16' ' ' TYR . 8.0 p -50.93 -41.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' N ' HG13 ' A' ' 15' ' ' VAL . 3.1 m-85 -56.45 150.74 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.08 148.27 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.36 47.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.03 38.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -132.89 166.33 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.54 -52.3 64.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.54 -45.01 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.47 -49.98 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -55.06 -58.3 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' TYR . 35.0 m0 -47.82 -58.06 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.879 ' O ' HG13 ' A' ' 30' ' ' VAL . 71.4 t80 -37.2 -50.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.691 ' HA ' HG22 ' A' ' 30' ' ' VAL . 27.9 mt -55.12 -52.89 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.98 -22.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 26' ' ' TYR . 3.4 mt -97.77 -35.16 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.3 m -78.33 -12.19 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.83 -53.66 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -89.34 -47.58 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.32 -17.21 4.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.8 m -160.7 145.58 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.71 147.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -103.56 157.12 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 t -64.9 112.42 8.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -1.47 8.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -101.1 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.9 p -98.8 -27.59 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 56.61 41.15 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.92 -43.66 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -133.72 133.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.28 -178.13 19.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -126.99 164.65 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' N ' ' HE2' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -69.87 -25.38 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.51 171.9 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 49' ' ' GLU . 27.9 mt -69.73 -57.35 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' ILE . 47.2 mt-10 -34.43 -61.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.51 -45.84 75.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.8 tp -57.17 -51.45 69.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -39.91 -50.14 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -60.41 -34.75 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' LEU . 42.7 t-80 -68.65 -55.86 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ptp -61.17 -23.22 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -41.3 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -96.7 -12.42 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.1 t -94.27 16.02 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 149.47 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.8 133.11 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.3 tp10 -120.95 155.62 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' GLU . 23.4 mtp -34.44 138.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.47 ' CE2' HD13 ' A' ' 75' ' ' LEU . 30.7 m-85 -121.37 177.59 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 m -157.4 117.86 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 17.7 t -58.76 160.83 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.439 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 82.5 t60 -107.38 -37.1 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -58.15 -57.79 11.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.1 -44.86 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.58 26.96 5.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.429 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 9.9 tttm -64.75 153.96 38.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -138.83 105.38 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -132.2 142.27 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -76.82 -27.06 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.9 m -98.64 107.03 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 63' ' ' PHE . 18.3 tp -47.3 -43.54 22.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.22 -64.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.27 -44.8 44.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.563 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 26.7 ttm -59.1 -57.9 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -45.68 -20.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.27 -38.1 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -50.76 -30.29 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.462 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 86.0 t -72.49 -51.32 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.8 mtm -65.74 -24.09 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.96 -51.48 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -83.83 -59.99 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -83.42 41.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.04 94.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -125.24 80.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 pp -111.72 148.79 39.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.74 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 92' ' ' GLY . 87.4 p -34.88 -49.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 91' ' ' SER . . . -32.49 96.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' SER . 53.9 Cg_endo -69.71 171.22 14.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.1 p -107.87 158.26 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -57.71 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 p -167.03 161.01 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -168.21 166.01 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.9 160.46 17.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -174.88 173.46 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -172.2 172.23 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.23 135.44 1.93 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.482 ' O ' HD13 ' A' ' 9' ' ' ILE . 37.2 mtm180 -142.17 133.49 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 8' ' ' ARG . 48.4 mm -136.53 117.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -114.66 143.49 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -167.11 163.29 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.24 114.58 8.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.33 68.95 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 173.22 11.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.377 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.4 p -37.03 -44.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.474 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -101.0 167.13 10.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.44 170.74 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 43.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.92 47.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -118.64 160.58 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.04 -34.5 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' HD13 ' A' ' 48' ' ' ILE . 1.7 mp0 -59.01 -25.44 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -88.18 -38.78 15.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -58.04 -47.35 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -56.75 -51.33 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.817 ' O ' HG13 ' A' ' 30' ' ' VAL . 77.3 t80 -45.24 -48.62 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' A' ' 30' ' ' VAL . 23.3 mt -54.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -37.29 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.577 HG23 ' C ' ' A' ' 33' ' ' GLY . 9.3 mt -85.37 -48.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.7 m -62.34 -13.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -101.66 -42.27 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -103.97 -52.22 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.577 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 139.92 -19.03 2.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.2 p -153.75 155.47 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.82 139.01 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 159.51 15.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 46.0 t -67.33 112.57 10.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.7 Cg_endo -69.79 -2.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.816 HG21 ' HA ' ' A' ' 59' ' ' LYS . 61.4 m -97.3 -57.25 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 p -104.11 -26.2 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' CYS . 82.8 mt-30 57.46 39.41 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.74 -44.81 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.72 138.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.63 177.24 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -132.43 166.26 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -60.01 -47.81 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.533 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.4 p -135.83 -175.24 3.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.549 HD11 ' HB2' ' A' ' 26' ' ' TYR . 36.4 mt -67.76 -40.4 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.41 -47.42 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.41 75.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 37' ' ' CYS . 3.5 tp -60.76 -43.11 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -49.85 -49.03 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -64.18 -14.72 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 78.7 t60 -92.62 -50.12 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.411 ' HB2' ' HE2' ' A' ' 55' ' ' MET . 8.1 ptm -70.49 -23.38 62.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -50.86 -41.54 58.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -103.59 -36.45 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 t -64.09 -55.23 23.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.816 ' HA ' HG21 ' A' ' 39' ' ' THR . 0.3 OUTLIER -42.03 109.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -88.69 173.6 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.86 156.67 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.2 mtp -148.02 175.55 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 22.2 m-85 -143.54 178.51 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -164.38 121.78 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -63.7 161.04 15.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 2.7 t-160 -105.61 -36.73 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -52.33 -66.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.6 p -99.1 -40.14 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.17 41.13 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 4.8 tmtm? -84.56 154.26 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 28.3 mt-30 -129.77 112.31 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 78' ' ' MET . 24.0 mt -118.76 144.04 46.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -53.06 -54.6 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -89.15 175.98 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 58.7 tp -99.88 -49.21 4.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.38 -66.43 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.19 -51.76 7.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.548 ' HA ' HD12 ' A' ' 72' ' ' LEU . 28.4 ttm -56.79 -65.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -40.69 -24.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' MET . 3.0 t80 -84.67 -37.31 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.651 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -57.44 -27.02 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.456 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 91.5 t -72.04 -50.72 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 mtm -68.84 -21.23 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.4 -54.43 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -84.75 -55.88 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -85.66 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER -70.61 116.45 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m -118.18 167.2 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.67 ' O ' HD12 ' A' ' 89' ' ' LEU . 3.5 pp -44.74 144.87 1.71 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.1 Cg_endo -69.73 -176.81 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' PRO . 3.4 m -34.2 123.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.38 -137.33 4.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 139.2 39.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -72.88 153.59 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.7 m -155.29 137.06 14.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.487 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -166.01 121.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.842 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -165.52 141.68 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.56 65.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -39.87 116.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -94.91 148.39 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.94 -123.97 2.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.9 147.71 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.8 pt -128.77 129.31 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -148.35 140.06 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.2 165.82 15.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -150.49 151.26 30.62 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 127.47 14.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.386 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.73 163.33 38.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' PRO . 7.6 p -33.82 -40.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.406 ' N ' HG13 ' A' ' 15' ' ' VAL . 4.9 m-85 -56.41 146.08 25.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 20' ' ' SER . . . -45.88 152.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.99 44.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.82 51.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.743 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 1.0 OUTLIER -132.54 166.9 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.773 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 10.8 mt -45.79 -38.8 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.45 -52.05 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.4 -51.61 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -54.86 -52.38 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.592 ' CZ2' ' HG3' ' A' ' 38' ' ' PRO . 46.5 m0 -58.05 -40.33 80.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.752 ' CE2' HG11 ' A' ' 30' ' ' VAL . 77.6 t80 -55.27 -49.79 71.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HA ' HG22 ' A' ' 30' ' ' VAL . 14.3 mt -53.95 -56.23 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -42.74 -24.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 33' ' ' GLY . 16.2 mt -92.01 -53.94 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.752 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.2 m -59.49 -20.98 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.3 -47.72 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -102.58 -54.42 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.677 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 147.7 -23.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 p -148.38 176.1 10.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -127.14 148.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -100.69 154.07 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLN . 29.9 t -62.44 110.4 3.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.838 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.5 Cg_endo -69.77 -6.53 18.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 60' ' ' GLN . 5.0 m -94.8 -53.21 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.7 p -105.3 -31.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' CYS . 57.1 mt-30 62.52 41.4 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.91 -43.32 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.81 141.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.94 19.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -130.41 153.48 48.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -46.3 -56.18 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.487 ' HA ' HD13 ' A' ' 29' ' ' ILE . 2.8 p -132.86 177.54 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.968 HG22 ' HD2' ' A' ' 52' ' ' LYS . 39.3 mt -50.79 -49.39 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -43.81 -54.37 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.99 92.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.838 HD11 ' HD2' ' A' ' 38' ' ' PRO . 11.0 tp -65.7 -58.03 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.968 ' HD2' HG22 ' A' ' 48' ' ' ILE . 6.1 mtpp -42.09 -54.28 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -58.25 -32.8 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -72.16 -54.79 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.451 ' CE ' ' CH2' ' A' ' 25' ' ' TRP . 10.0 ptp -64.55 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.74 -47.42 59.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.21 -44.06 7.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.07 -64.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' HZ3' ' C ' ' A' ' 73' ' ' ARG . 47.8 tttt -174.06 164.78 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.607 ' O ' HG23 ' A' ' 39' ' ' THR . 49.4 mt-30 -98.52 176.68 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -47.89 172.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.431 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 46.7 mtp -96.75 -178.53 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 62' ' ' MET . 7.7 m-85 -136.31 167.9 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' HG2' ' A' ' 71' ' ' GLN . 6.4 m -157.78 112.79 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 10.6 t -49.66 161.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.476 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 5.6 m-70 -107.93 -35.64 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -58.41 -58.91 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.03 -45.8 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.97 32.01 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -68.57 152.49 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.9 mt-30 -133.27 103.71 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 78' ' ' MET . 41.7 mt -129.05 130.84 47.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.496 ' C ' ' HZ3' ' A' ' 59' ' ' LYS . 8.9 ptm180 -60.69 -47.59 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -82.74 113.22 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 tp -49.97 -46.91 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.91 -62.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.94 -43.77 31.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 35.8 ttm -62.22 -64.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -40.15 -24.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 52.9 t80 -82.79 -39.92 21.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 0.7 OUTLIER -51.81 -30.92 25.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.7 mtm -61.92 -21.42 64.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.18 -69.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -71.1 -54.81 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.86 44.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -76.38 91.38 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -53.67 -46.5 70.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.6 mt -55.95 124.39 58.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 170.72 15.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 t -118.44 -54.35 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.28 137.01 2.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.89 4.1 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -134.8 132.34 38.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.3 m -159.68 156.08 27.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.512 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -110.85 108.22 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -87.36 130.41 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 77.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -58.77 139.11 56.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -166.78 150.13 6.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.83 142.09 22.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -81.13 116.63 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -85.89 -24.64 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -162.18 169.22 21.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -152.91 135.76 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.99 133.52 67.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 120.35 7.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 16' ' ' TYR . 14.0 p -43.02 -49.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.599 ' N ' HG13 ' A' ' 15' ' ' VAL . 12.3 m-85 -47.38 134.5 11.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' OG ' ' A' ' 20' ' ' SER . . . -53.15 141.24 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 80.03 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.76 -39.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.466 ' OG ' ' HB3' ' A' ' 17' ' ' ALA . 73.8 p -51.21 150.51 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 21.0 mt -51.12 -32.97 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -53.91 -59.84 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -44.94 -52.55 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.18 -55.37 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.792 ' HB3' HG21 ' A' ' 35' ' ' VAL . 30.3 m0 -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.761 ' CE2' HG11 ' A' ' 30' ' ' VAL . 86.9 t80 -49.19 -52.51 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HA ' HG22 ' A' ' 30' ' ' VAL . 31.3 mt -47.3 -57.5 5.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -40.41 -31.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 47' ' ' THR . 42.9 mt -81.12 -55.48 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.761 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.9 m -61.74 -15.13 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -96.93 -46.29 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -106.85 -48.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 133.66 -13.02 4.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -152.87 145.57 24.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 25' ' ' TRP . 8.3 p -98.69 144.51 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -92.67 169.8 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.4 t -78.67 111.6 20.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.605 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.7 Cg_endo -69.78 -3.97 13.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -98.16 -50.35 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.3 p -106.72 -29.93 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' CYS . 54.7 mt-30 60.8 43.09 12.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.13 -39.77 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.77 174.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -145.47 162.71 28.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -114.46 171.38 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -58.28 -55.67 31.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.614 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.4 p -133.09 -175.36 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 mm -54.15 -49.9 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -45.55 -61.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.38 20.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 38' ' ' PRO . 6.9 tp -64.78 -38.22 90.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -52.62 -52.0 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -65.55 -13.63 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -89.43 -51.0 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 ptm -71.07 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 19.4 pt-20 -48.98 -41.89 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 6.6 p-10 -101.87 -20.55 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.87 24.6 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -67.71 -175.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -92.57 104.12 16.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -124.0 169.28 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.7 mmt -37.32 153.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 75' ' ' LEU . 21.3 m-85 -118.3 16.22 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' PHE . 16.9 m -35.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 7.1 t -47.83 157.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 49.6 m80 -105.16 -33.1 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.71 -59.14 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.83 -43.46 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.96 33.13 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -78.34 153.86 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.5 mt-30 -129.86 123.5 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 78' ' ' MET . 77.9 mt -140.58 126.16 19.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -51.2 -44.57 61.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 t -87.79 149.72 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 63' ' ' PHE . 67.2 tp -82.65 -49.55 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.63 -65.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.97 -55.65 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.519 ' HA ' HD12 ' A' ' 72' ' ' LEU . 30.4 ttm -52.94 -63.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' CE ' ' A' ' 83' ' ' MET . 5.9 mtpm? -42.14 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.9 t80 -85.51 -36.11 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.499 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -59.46 -26.8 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' HIS . 87.0 t -72.67 -49.4 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 79' ' ' LYS . 4.6 mpp? -68.66 -29.48 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.36 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -87.41 -52.12 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' VAL . 7.7 m-70 -89.9 41.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -51.1 107.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.5 t -164.8 106.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.4 151.87 7.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -77.76 146.7 35.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.86 175.97 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.03 3.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -98.23 179.29 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -83.77 177.23 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -125.06 132.09 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -88.39 -51.0 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.66 12.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -169.17 169.21 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -156.81 170.83 21.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.42 77.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -87.9 134.46 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -122.72 146.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -168.65 147.41 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -138.57 155.43 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -112.14 122.01 37.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.742 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 53.1 Cg_endo -69.86 164.56 34.18 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -176.48 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.86 -22.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.34 156.82 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 20' ' ' SER . . . -48.7 163.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 13' ' ' PRO . . . -84.49 73.68 10.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.88 51.36 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.666 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 2.4 t -122.05 173.89 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.5 mt -50.15 -36.73 31.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 12.7 mt-10 -51.14 -60.74 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -44.51 -42.6 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.98 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CE3' ' HA ' ' A' ' 22' ' ' GLU . 16.5 m0 -48.19 -51.14 26.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.753 ' CE2' HG11 ' A' ' 30' ' ' VAL . 84.9 t80 -42.26 -48.99 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HA ' HG22 ' A' ' 30' ' ' VAL . 23.6 mt -53.87 -54.86 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -46.29 -23.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.413 HG23 ' C ' ' A' ' 33' ' ' GLY . 35.8 mt -90.53 -44.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.753 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.7 m -68.63 -15.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -102.86 -38.63 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -112.29 -49.6 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 130.06 -4.12 6.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -164.34 151.97 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.74 151.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -92.52 148.79 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.11 117.52 20.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.78 5.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.56 HG21 ' HA ' ' A' ' 59' ' ' LYS . 12.1 m -106.88 -57.65 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.8 p -97.72 -30.83 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 61.1 44.15 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.94 -47.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.51 151.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.52 -176.37 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -124.01 154.28 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 40.9 mttm -69.76 0.68 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.91 163.25 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -68.2 -62.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -58.73 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.97 -46.85 19.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.1 -32.65 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 26.6 mmtt -58.12 -39.09 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -68.61 -33.14 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -75.98 -51.6 12.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.8 ptm -66.71 -38.3 86.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 6.1 mm-40 -40.7 -33.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -105.03 -32.01 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.74 -58.06 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.56 ' HA ' HG21 ' A' ' 39' ' ' THR . 19.9 pttt -40.78 127.38 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' GLU . 14.0 mt-30 -92.99 164.38 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' GLN . 13.9 tt0 -37.03 131.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.6 mmm -112.12 169.25 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -143.6 160.85 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -151.31 113.85 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.24 158.4 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -106.71 -32.67 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.82 -57.45 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.04 -42.6 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.46 31.48 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -72.09 156.53 39.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.289 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -136.61 104.99 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 78' ' ' MET . 14.0 mt -119.28 148.72 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -78.51 -19.65 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.5 m -111.32 122.72 48.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.85 -44.83 91.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.25 -72.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -39.5 -48.17 2.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.519 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 29.0 ttm -57.77 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -44.72 -26.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -80.74 -38.34 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -53.1 -35.19 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.467 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 96.3 t -63.78 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtm -84.15 25.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.45 -44.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -98.84 -48.37 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -79.89 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m120 61.38 41.93 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -45.95 -41.88 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.1 mt -106.62 127.49 28.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -148.14 168.82 21.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.56 135.56 5.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 176.74 6.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -82.39 -41.43 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -155.94 167.42 30.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.506 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p 45.32 42.1 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -67.07 140.71 57.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.95 115.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -70.45 131.45 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -88.12 144.56 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 70.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -135.36 117.96 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -71.29 174.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 10' ' ' ARG . 4.4 ptp180 -129.51 136.06 49.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -162.51 144.55 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -142.83 153.87 61.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.666 0.746 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.44 65.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 15' ' ' VAL . 5.9 p -57.48 -13.97 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.62 147.73 27.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 20' ' ' SER . . . -43.43 163.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.97 77.47 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 49.66 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.682 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 1.1 t -124.08 169.4 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.27 -37.99 38.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -46.7 -58.53 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -43.05 -44.78 4.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.61 -64.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.775 ' HB3' HG21 ' A' ' 35' ' ' VAL . 27.8 m0 -42.74 -57.44 2.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.777 ' HA ' HD12 ' A' ' 29' ' ' ILE . 84.3 t80 -37.93 -44.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 30' ' ' VAL . 54.8 mt -56.75 -49.23 75.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -53.21 -23.59 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 26' ' ' TYR . 6.6 mt -90.51 -33.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.5 m -85.7 -15.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -107.32 -52.46 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -89.39 -43.34 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.86 -3.26 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 p -165.64 141.76 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.775 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -96.53 137.57 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -96.57 154.24 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' HA ' HD11 ' A' ' 51' ' ' LEU . 22.4 t -54.59 119.18 19.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.3 Cg_endo -69.74 0.65 5.33 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 HG21 ' C ' ' A' ' 59' ' ' LYS . 48.1 m -112.22 -60.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 p -92.95 -23.01 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.35 44.25 16.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.68 -33.37 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.81 144.34 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.64 -151.36 5.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -152.05 -175.45 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -92.58 31.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 50' ' ' GLY . 9.9 t -175.02 179.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.658 HD11 ' CA ' ' A' ' 26' ' ' TYR . 18.1 mt -102.88 -9.0 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.08 -49.99 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' H ' HG23 ' A' ' 47' ' ' THR . . . -69.96 -27.25 73.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG13 ' A' ' 35' ' ' VAL . 12.2 tp -76.17 -50.86 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 29.5 mtmt -43.91 -36.3 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.3 -32.92 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.7 t60 -80.86 -50.03 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.431 ' CG ' ' HA ' ' A' ' 52' ' ' LYS . 3.9 ppp? -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 3.9 mm-40 -45.76 -52.0 11.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -87.87 -22.23 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 58' ' ' CYS . 50.5 t -94.39 22.41 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' HG21 ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.63 -6.75 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -122.52 120.12 32.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 62' ' ' MET . 1.8 tp10 -168.75 142.01 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 49.8 mtp -48.68 144.35 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 75' ' ' LEU . 7.0 m-85 -106.98 176.0 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.452 HG23 ' HG2' ' A' ' 71' ' ' GLN . 8.6 m -163.66 121.84 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 5.9 t -61.52 161.34 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.483 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 14.1 m80 -106.85 -38.93 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -54.74 -62.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -99.99 -44.21 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.45 30.0 3.99 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' CE ' HD11 ' A' ' 72' ' ' LEU . 26.2 tttp -65.82 152.07 45.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.6 mt-30 -133.04 100.98 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.526 HD11 ' CE ' ' A' ' 70' ' ' LYS . 61.5 mt -125.61 144.37 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -72.66 -43.35 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -84.67 121.06 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 63' ' ' PHE . 12.8 tp -54.96 -45.73 74.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.67 -67.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.28 -39.03 2.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.513 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.9 ttm -71.52 -47.67 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.49 -15.87 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 26.4 t80 -94.98 -21.5 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.3 p-80 -69.16 -32.13 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 86' ' ' HIS . 44.3 t -75.71 -52.13 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.417 ' CE ' ' HA ' ' A' ' 80' ' ' TYR . 25.0 ptp -54.33 -34.8 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.83 -72.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.51 -52.06 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.568 ' HB2' HG13 ' A' ' 82' ' ' VAL . 36.2 m-70 -94.43 51.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 1.7 p30 -80.35 44.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 t -118.3 86.2 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 89' ' ' LEU . 3.8 pp -101.05 119.0 59.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.711 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.0 Cg_endo -69.77 -47.25 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 90' ' ' PRO . 25.2 p -35.98 125.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.09 94.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 175.0 8.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -61.5 106.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 p -125.5 160.59 29.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLU . 11.9 mt -65.52 -46.94 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mt-10 -37.69 -49.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.89 -47.7 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.23 -59.36 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.614 ' HB3' HG21 ' A' ' 35' ' ' VAL . 18.5 m0 -54.03 -39.79 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.727 ' CE2' HG11 ' A' ' 30' ' ' VAL . 85.2 t80 -55.83 -49.27 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' HG22 ' A' ' 30' ' ' VAL . 18.0 mt -53.18 -56.81 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.65 -24.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 47' ' ' THR . 38.4 mt -88.99 -56.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.727 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.4 m -60.11 -14.57 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.14 -43.93 5.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -105.06 -51.25 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 134.31 -13.32 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.4 p -152.44 163.18 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 25' ' ' TRP . 12.2 p -126.43 143.51 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -92.66 168.83 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.63 124.55 69.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -11.52 31.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.9 m -88.67 -64.78 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -88.12 -38.28 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 63.3 40.16 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.57 -37.59 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -129.28 134.07 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.48 -168.8 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -138.46 166.61 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -62.99 -27.18 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.613 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.1 p -155.72 -176.52 6.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.477 HG22 ' HG3' ' A' ' 52' ' ' LYS . 36.2 mt -70.86 -56.3 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.9 mt-10 -33.84 -53.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.22 96.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.6 tp -59.03 -52.93 63.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HG3' HG22 ' A' ' 48' ' ' ILE . 7.6 mtmp? -37.08 -53.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t60 -67.3 -54.14 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 ptp -66.28 -23.68 66.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 1.4 t -52.79 161.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.522 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 29.7 m80 -105.3 -40.28 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -47.82 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.87 -43.83 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.88 32.11 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.0 ttmm -69.55 155.76 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.746 0.307 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.48 108.43 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.409 HD11 ' HD3' ' A' ' 70' ' ' LYS . 51.8 mt -128.76 144.77 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -63.6 -57.89 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 p -74.09 114.75 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.56 -45.12 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.54 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.35 -46.14 16.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -63.36 -61.68 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -43.9 -21.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' MET . 40.4 t80 -87.8 -34.16 18.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.638 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -61.14 -23.18 65.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.2 t -80.72 -51.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.23 -16.65 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.05 -60.26 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -74.36 -52.07 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.882 0.373 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD21 ' NH2' ' A' ' 73' ' ' ARG . 11.7 mt -71.02 -53.73 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' LEU . 12.0 mt-10 -36.29 -41.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.97 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 27' ' ' LEU . 79.2 mt-30 -57.88 -56.81 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CZ2' HD13 ' A' ' 21' ' ' LEU . 26.8 m0 -51.5 -42.28 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 30' ' ' VAL . 84.4 t80 -54.96 -47.85 73.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 24' ' ' GLN . 16.0 mt -55.32 -53.77 51.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -46.01 -22.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 26' ' ' TYR . 11.4 mt -91.21 -57.75 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -57.08 -14.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -100.66 -41.01 7.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -107.56 -53.13 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.5 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 141.19 -16.21 2.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -157.52 170.11 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.7 p -123.84 146.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -94.91 157.79 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 12.1 t -66.78 111.5 7.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HD2' HD11 ' A' ' 51' ' ' LEU . 54.1 Cg_endo -69.76 -3.44 12.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -103.41 -57.18 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -95.36 -29.16 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 55.6 46.38 22.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.72 -40.01 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.31 144.84 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -113.57 -178.74 19.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 44' ' ' GLY . 25.5 mmt-85 -135.77 156.66 48.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -53.73 -51.54 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -129.87 166.72 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.5 mt -51.48 -38.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -50.16 -56.92 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.62 -40.2 92.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.628 HD11 ' HD2' ' A' ' 38' ' ' PRO . 5.5 tp -62.61 -54.16 43.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.962 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.3 -55.54 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -31.15 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -71.04 -55.11 8.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.5 ptm -66.18 -21.66 66.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.796 0.331 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 19.1 t -56.34 158.95 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.407 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 71.6 m80 -107.71 -34.52 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -58.31 -56.89 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.0 p -104.07 -46.5 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.56 32.83 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HD3' HD11 ' A' ' 72' ' ' LEU . 28.9 tttm -71.95 157.9 37.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.91 105.16 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.566 HD11 ' HD3' ' A' ' 70' ' ' LYS . 10.7 mt -128.71 152.65 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.523 ' NH2' HD21 ' A' ' 21' ' ' LEU . 72.2 mtp180 -79.19 -55.29 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -75.37 114.97 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.51 -43.22 55.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.17 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.88 -47.21 25.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 81' ' ' HIS . 31.0 ttm -63.19 -62.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -39.68 -29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' MET . 49.0 t80 -77.61 -38.75 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.9 OUTLIER -52.96 -32.37 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -50.02 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.27 -20.6 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.12 -61.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -73.4 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 52.0 mt -62.44 -39.94 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' LEU . 36.3 mt-10 -36.7 -59.08 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.71 -56.99 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 27' ' ' LEU . 71.1 mt-30 -49.75 -63.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -46.75 -47.23 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 30' ' ' VAL . 71.4 t80 -52.53 -49.95 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HA ' HG22 ' A' ' 30' ' ' VAL . 24.1 mt -51.6 -52.61 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -48.03 -21.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 47' ' ' THR . 38.3 mt -92.26 -47.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -66.27 -15.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.3 t0 -99.32 -50.65 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.3 mmpt? -97.3 -44.83 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.76 -14.06 5.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.7 p -155.7 168.36 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.5 p -117.71 147.58 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -102.98 162.82 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.51 ' HA ' HD11 ' A' ' 51' ' ' LEU . 46.7 t -73.76 111.94 14.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.4 Cg_endo -69.79 -3.92 13.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.2 m -94.44 -51.85 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -112.04 -26.59 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' CYS . 76.6 mt-30 58.65 39.33 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.2 -41.2 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.674 ' CG2' ' CE1' ' A' ' 54' ' ' HIS . 26.7 m -132.2 142.27 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.57 -176.3 18.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.16 147.73 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -41.01 -56.14 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.648 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -130.53 171.54 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -50.3 -54.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ILE . 50.0 mt-10 -37.18 -50.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -64.73 -42.36 97.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 37' ' ' CYS . 7.9 tp -61.57 -51.46 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -45.69 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -64.78 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.674 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 86.1 t60 -75.88 -50.84 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.505 ' HB2' ' HE3' ' A' ' 55' ' ' MET . 6.8 ptm -67.41 -28.24 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.6 OUTLIER -60.13 160.83 7.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.502 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 22.4 m170 -100.29 -39.8 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 26.9 m-70 -55.23 -72.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 p -88.61 -47.76 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 40.04 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -79.11 162.78 25.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -134.64 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.8 mt -115.33 141.56 47.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -67.77 -25.7 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.6 t -105.37 150.67 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -84.1 -48.2 10.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.63 -61.31 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.12 -44.86 20.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.543 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -64.65 -64.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 78' ' ' MET . 9.6 mtmp? -39.1 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.6 t80 -82.45 -40.08 21.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.632 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.82 -25.07 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -72.99 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -62.68 -23.87 67.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.01 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 81' ' ' HIS . 4.6 m120 -64.26 -61.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 48.9 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.914 0.388 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 9.4 mt -55.35 -59.22 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 42.9 mt-10 -34.46 -46.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.09 -52.46 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -51.16 -53.52 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.3 m0 -53.41 -56.43 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.726 ' HA ' HD12 ' A' ' 29' ' ' ILE . 66.1 t80 -38.79 -56.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HA ' HG22 ' A' ' 30' ' ' VAL . 97.4 mt -47.85 -59.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -40.88 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 26' ' ' TYR . 8.4 mt -90.15 -49.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.8 m -64.8 -15.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -101.52 -33.31 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -113.95 -55.46 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 142.7 -19.75 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 p -148.84 178.16 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.7 p -138.2 153.1 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 t -95.59 162.14 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 51' ' ' LEU . 50.0 t -78.65 113.92 38.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -96.07 -50.8 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.3 p -117.92 -26.07 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' CYS . 48.1 mt-30 59.84 44.62 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.74 -34.64 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.07 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -117.01 -176.47 17.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -142.23 152.36 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' O ' HG23 ' A' ' 47' ' ' THR . 32.8 mttp -61.29 -12.2 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 46' ' ' LYS . 0.8 OUTLIER -159.77 -177.09 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 52' ' ' LYS . 31.2 mt -83.05 -46.98 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.1 -40.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -32.84 30.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 37' ' ' CYS . 11.4 tp -68.43 -48.09 65.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.729 ' HD2' HG22 ' A' ' 48' ' ' ILE . 4.6 mtpm? -46.72 -47.04 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -62.27 -35.14 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -71.76 -54.15 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 ptp -63.65 -25.9 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.831 0.348 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -59.18 162.59 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 34.1 m80 -107.03 -38.71 5.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -52.49 -62.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.37 -43.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.16 44.04 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -86.68 163.18 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.724 0.297 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -134.13 105.76 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.52 128.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -55.67 -42.39 75.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.5 m -89.11 134.78 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.7 tp -70.66 -56.58 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -39.37 -63.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.22 -43.82 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.557 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 21.7 ttm -64.59 -58.06 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -46.17 -20.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' MET . 14.2 t80 -89.21 -31.4 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.637 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -63.91 -24.24 67.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.41 -54.99 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 69.5 mtm -65.53 -9.65 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -59.88 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -82.39 -52.17 7.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 11.6 mt -51.82 -35.27 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -50.59 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.79 -50.78 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 27' ' ' LEU . 62.0 mt-30 -59.45 -60.36 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CZ2' HD13 ' A' ' 21' ' ' LEU . 22.5 m0 -44.6 -45.76 9.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 29' ' ' ILE . 76.6 t80 -56.71 -48.38 77.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 24' ' ' GLN . 82.4 mt -48.97 -54.42 15.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -44.63 -26.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 26' ' ' TYR . 16.3 mt -83.52 -55.8 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.7 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.0 m -59.07 -15.79 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -97.86 -43.83 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -109.01 -51.58 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 132.77 -5.0 5.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -157.91 147.4 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.83 136.53 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 t -76.61 170.13 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.64 120.93 64.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.81 -4.9 15.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -95.19 -62.48 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.14 -28.94 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 57.14 37.96 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.64 -35.45 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.35 175.45 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.65 159.21 28.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HG2' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -100.69 173.97 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -70.66 -45.44 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.89 -177.62 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 26' ' ' TYR . 6.2 mm -65.15 -53.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -43.59 -59.27 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HG2' ' A' ' 45' ' ' ARG . . . -44.72 -43.52 8.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HD2' ' A' ' 38' ' ' PRO . 12.7 tp -61.87 -47.32 85.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' A' ' 52' ' ' LYS . 1.2 mpmm? -45.99 -58.18 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.9 -31.46 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 72.8 t60 -71.37 -51.6 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.0 ptm -72.38 -10.77 60.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 18.3 t -63.6 162.21 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.462 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 19.1 m80 -102.83 -37.81 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -60.87 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -101.26 -48.1 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.41 23.99 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -61.96 155.15 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.94 102.75 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 78' ' ' MET . 22.0 mt -112.45 147.73 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -71.95 -27.33 62.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -112.24 152.33 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -80.11 -42.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.54 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.46 -36.68 3.28 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.743 ' HA ' HD12 ' A' ' 72' ' ' LEU . 26.0 ttm -67.96 -58.12 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -43.85 -21.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 24.7 t80 -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.56 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -50.07 -33.71 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.463 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 73.6 t -64.94 -42.47 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 45.2 mtm -82.58 18.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.54 -37.76 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.44 -24.38 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD23 HE21 ' A' ' 24' ' ' GLN . 15.1 mt -73.05 -44.65 60.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -41.48 -41.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.27 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.452 HE21 HD23 ' A' ' 21' ' ' LEU . 20.1 mt-30 -57.01 -54.65 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.4 m0 -56.93 -35.25 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE2' HG11 ' A' ' 30' ' ' VAL . 79.5 t80 -59.96 -53.53 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.58 ' HA ' HG22 ' A' ' 30' ' ' VAL . 82.3 mt -50.96 -58.99 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.79 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 47' ' ' THR . 29.8 mt -89.43 -46.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -70.07 -13.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.93 -33.89 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -114.27 -45.29 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 129.87 -16.77 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.4 p -154.77 168.89 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.43 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.9 p -119.79 150.55 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.3 t -100.79 166.64 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' HD11 ' A' ' 51' ' ' LEU . 47.9 t -76.27 112.26 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.64 ' HD2' HD11 ' A' ' 51' ' ' LEU . 54.0 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.6 m -100.85 -52.53 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -107.52 -24.42 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' CYS . 66.0 mt-30 55.1 40.95 32.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.32 -34.41 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.17 175.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -146.4 175.85 25.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 15.9 mmt180 -132.4 151.95 51.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -46.03 -53.41 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.533 ' HA ' HD13 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -129.7 177.73 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLU . 49.3 mt -57.47 -53.88 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ILE . 61.0 mt-10 -37.96 -50.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.53 -58.71 12.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 ' HD2' ' A' ' 38' ' ' PRO . 3.6 tp -48.11 -53.33 16.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LEU . 61.6 mttt -37.44 -55.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.32 -34.01 70.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LEU . 82.5 t60 -70.78 -46.25 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.9 ptm -76.28 -8.71 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.34 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -53.21 161.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.498 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 12.3 t60 -103.61 -39.9 6.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -57.53 -69.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -90.18 -44.44 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.41 31.28 4.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' HD11 ' A' ' 72' ' ' LEU . 15.8 tttp -65.79 160.05 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -135.6 106.68 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 78' ' ' MET . 68.2 mt -128.51 150.98 49.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -79.8 -44.27 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 m -86.31 111.78 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 tp -48.07 -46.96 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.47 -72.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.37 -45.14 1.79 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.516 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -62.96 -54.2 42.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -46.8 -24.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -48.01 -35.98 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.457 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 77.2 t -69.67 -42.42 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.4 mtm -82.62 19.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.62 -29.35 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -116.89 -52.57 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.84 -43.13 25.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -45.63 -38.33 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.66 -55.55 22.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.0 -61.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.562 ' HB3' HG21 ' A' ' 35' ' ' VAL . 23.3 m0 -47.23 -49.33 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.622 ' HA ' HD12 ' A' ' 29' ' ' ILE . 84.8 t80 -48.94 -47.26 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' HA ' HG22 ' A' ' 30' ' ' VAL . 37.1 mt -57.43 -49.03 77.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.82 -15.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 26' ' ' TYR . 15.5 mt -97.45 -48.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.591 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.4 m -65.62 -17.66 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -97.6 -37.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -109.58 -57.29 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.483 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 146.22 -16.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.0 p -157.06 169.07 25.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -124.18 144.14 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.4 t -99.7 150.92 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.12 115.75 11.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -4.15 13.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -95.56 -61.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -99.09 -32.87 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 64.45 37.7 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.15 -35.33 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.02 156.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.74 -171.0 12.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 2.7 mmp_? -145.89 153.58 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -47.25 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.27 155.88 48.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.8 mt -41.62 -51.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ILE . 9.9 pt-20 -36.83 -49.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.39 -54.64 32.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 5.6 tp -53.5 -47.31 69.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -40.88 -53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -58.66 -34.2 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.54 -50.8 33.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.4 ptp -73.1 -22.09 60.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 71' ' ' GLN . 1.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 4.4 t -59.53 160.33 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.467 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 79.2 m-70 -104.91 -37.58 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -54.68 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.82 -46.96 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.14 36.91 2.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -78.45 151.77 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 64' ' ' THR . 34.3 mt-30 -126.23 103.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 78' ' ' MET . 45.2 mt -117.07 148.07 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -66.95 -55.55 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -81.09 159.82 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 tp -88.05 -52.66 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.3 -58.23 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.47 -44.58 53.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.4 ttm -67.65 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 78' ' ' MET . 25.7 mttt -37.83 -27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -81.26 -43.68 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.63 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -48.6 -25.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 86' ' ' HIS . 73.2 t -75.6 -42.47 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.7 mtm -80.62 14.23 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.35 -55.49 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -85.01 -42.02 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.54 ' HD2' HG13 ' A' ' 82' ' ' VAL . 18.2 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.939 0.399 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 20.8 mt -67.95 -43.11 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -41.84 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -53.6 -52.84 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HA ' HD12 ' A' ' 27' ' ' LEU . 27.1 mt-30 -47.77 -67.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 21.5 m0 -46.07 -53.16 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.679 ' O ' HG13 ' A' ' 30' ' ' VAL . 65.4 t80 -41.09 -47.67 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HA ' HG22 ' A' ' 30' ' ' VAL . 12.3 mt -57.6 -54.28 48.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.69 -24.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.3 mt -90.71 -52.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.5 m -62.71 -13.99 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -101.87 -42.21 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -107.76 -47.88 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 137.18 -19.13 3.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -155.0 171.45 19.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.45 142.2 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 t -95.83 165.02 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 17.2 t -73.09 112.53 15.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.9 Cg_endo -69.77 -1.79 9.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.7 m -103.15 -59.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.04 -30.52 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 59.27 44.9 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.19 -41.48 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.78 151.86 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.81 -173.4 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -138.27 149.98 46.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -51.34 -50.38 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -126.51 172.68 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLU . 37.8 mt -59.22 -51.49 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ILE . 69.2 mm-40 -37.91 -52.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.18 -55.31 30.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' HIS . 3.7 tp -50.7 -51.87 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 64.5 mttt -41.55 -47.99 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.64 72.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.5 t60 -71.66 -55.04 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' GLU . 9.9 ptm -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 6.6 t -59.49 161.79 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.48 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.8 m170 -103.94 -38.6 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.19 -66.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.85 -47.57 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.75 26.71 4.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HD3' HD11 ' A' ' 72' ' ' LEU . 27.4 tttm -63.84 154.4 33.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -134.9 101.82 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 ' HD3' ' A' ' 70' ' ' LYS . 16.8 mt -121.58 152.84 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 m -85.53 121.16 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -56.75 -45.51 81.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 -66.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.15 -46.13 10.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.508 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 27.1 ttm -59.36 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -42.39 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -81.2 -38.93 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.7 OUTLIER -50.82 -34.45 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.434 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 93.6 t -69.52 -45.09 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 mtm -55.23 -19.24 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.4 -67.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.54 -27.35 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.4 mt -41.06 -35.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -51.75 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -44.18 -49.6 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.89 -62.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.428 ' HB3' HG21 ' A' ' 35' ' ' VAL . 31.1 m0 -46.46 -43.47 16.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.757 ' CE2' HG11 ' A' ' 30' ' ' VAL . 79.5 t80 -51.55 -53.89 33.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.484 ' HA ' HG22 ' A' ' 30' ' ' VAL . 15.9 mt -48.44 -56.46 8.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.63 -31.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 47' ' ' THR . 31.1 mt -83.35 -56.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.757 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -57.25 -17.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.9 t0 -97.6 -58.72 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 9.9 mmpt? -90.92 -50.08 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.48 -15.95 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 p -152.26 168.22 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.2 p -121.36 145.43 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.8 t -93.84 166.36 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.2 t -85.16 118.74 71.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.43 18.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.4 m -96.38 -64.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.9 p -88.18 -33.35 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 57.95 39.75 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.09 -42.03 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.17 174.44 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.61 179.95 26.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 21.7 mtp85 -130.75 170.09 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.02 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.51 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.5 p -120.79 -175.75 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.507 HG22 ' HE3' ' A' ' 52' ' ' LYS . 11.8 mt -78.87 -51.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' ILE . 7.7 mm-40 -35.9 -53.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -61.78 -39.71 97.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.3 tp -61.81 -51.68 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HE3' HG22 ' A' ' 48' ' ' ILE . 23.5 mttt -41.33 -47.1 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -33.2 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . 8.2 t60 -71.72 -55.4 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ptp -62.58 -25.91 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.888 0.375 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 36.5 t -56.64 161.35 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.6 m-70 -109.1 -34.49 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.54 -49.09 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -112.96 -44.98 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 26.98 5.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HD3' HD11 ' A' ' 72' ' ' LEU . 14.5 tttp -63.8 153.43 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -134.21 102.58 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.476 HD11 ' HD3' ' A' ' 70' ' ' LYS . 11.3 mt -120.16 167.34 12.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -53.74 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.5 p -85.17 128.77 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.77 -57.34 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -38.86 -60.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.03 -42.28 11.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.0 ttm -71.22 -61.47 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -40.97 -27.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' MET . 8.7 t80 -80.68 -37.69 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.5 p-80 -52.89 -38.17 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.416 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 60.0 t -63.95 -47.31 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.4 mtm -70.96 -9.64 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.63 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 1.1 p30 -84.52 -54.11 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.418 ' CD2' ' OD1' ' A' ' 85' ' ' ASN . 42.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.565 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 22.5 mt -47.69 -38.57 15.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -50.19 -59.6 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.2 -43.61 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.32 -59.21 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 31.9 m0 -52.53 -37.49 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 29' ' ' ILE . 67.0 t80 -57.51 -46.66 83.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 30' ' ' VAL . 40.2 mt -50.43 -58.79 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -39.83 -30.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 26' ' ' TYR . 15.9 mt -80.05 -56.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.3 m -55.07 -18.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -94.08 -56.04 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -95.6 -49.77 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 139.13 -19.39 3.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -155.42 138.71 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 25' ' ' TRP . 10.6 p -88.25 156.86 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 35' ' ' VAL . 40.0 t -102.75 162.07 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.3 111.95 10.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.752 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.76 -1.4 8.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.737 2.292 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -106.4 -56.08 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.96 -25.01 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 51.36 38.39 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.99 -38.89 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.82 137.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.93 173.56 16.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG3' ' C ' ' A' ' 50' ' ' GLY . 15.3 mmm180 -126.7 157.28 39.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -58.9 -47.17 85.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.95 -179.85 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLU . 5.5 mm -64.28 -55.69 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.3 mt-10 -36.41 -50.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -58.05 -51.93 55.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.752 HD11 ' HD2' ' A' ' 38' ' ' PRO . 9.5 tp -55.4 -56.67 17.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -42.91 -56.42 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.59 -33.22 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.07 -54.14 29.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.61 -25.65 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.9 0.381 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.7 OUTLIER -45.72 161.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 3.1 t-160 -101.43 -40.12 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -52.22 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -96.4 -47.32 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 38.92 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -78.64 152.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -123.55 111.59 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 78' ' ' MET . 24.8 mt -118.72 175.04 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -90.26 -61.11 1.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.1 m -83.34 109.65 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.86 -43.57 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.71 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.16 -39.88 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.553 ' HA ' HD12 ' A' ' 72' ' ' LEU . 27.8 ttm -68.41 -63.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -40.95 -23.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 11.2 t80 -84.75 -38.06 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.642 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.17 -29.58 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.484 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 39.6 t -69.19 -64.7 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -57.76 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.28 -72.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -62.02 -61.43 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 18.0 mt -60.92 -45.92 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -43.59 -48.45 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -44.59 87.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.64 -65.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' HB3' HG21 ' A' ' 35' ' ' VAL . 19.2 m0 -43.45 -49.21 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.704 ' CE2' HG11 ' A' ' 30' ' ' VAL . 81.9 t80 -45.63 -55.33 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -44.58 -58.37 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -39.88 -30.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 26' ' ' TYR . 27.4 mt -81.3 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.704 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.6 m -55.16 -16.37 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 5.3 t0 -97.87 -55.69 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.8 mmpt? -93.93 -53.62 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 144.93 -22.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -158.84 147.47 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 25' ' ' TRP . 13.5 p -94.63 143.46 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -97.14 159.27 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 t -60.87 113.44 7.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.576 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.8 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 m -102.71 -59.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -96.29 -28.89 14.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 58.53 42.51 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.23 -42.17 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.62 134.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.16 173.42 14.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 9.8 mtp180 -131.98 157.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -58.65 -48.1 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 p -117.05 171.78 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 49' ' ' GLU . 21.3 mt -73.54 -50.11 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.4 tt0 -32.74 -57.0 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -59.54 -45.41 95.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.576 HD11 ' HD2' ' A' ' 38' ' ' PRO . 7.2 tp -56.82 -52.13 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -38.97 -53.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' LEU . 78.8 t60 -68.25 -50.27 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ptp -68.51 -31.65 71.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.782 0.325 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 3.3 t -57.37 161.98 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.3 p-80 -109.35 -35.96 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -51.6 -48.12 63.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.39 -43.57 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.87 39.23 1.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.7 ttmm -78.92 154.7 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -131.58 104.51 6.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 78' ' ' MET . 94.6 mt -122.69 134.04 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -53.7 -48.82 69.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.4 m -88.81 133.64 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.72 -42.52 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.49 -69.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.82 -42.67 11.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.536 ' HA ' HD12 ' A' ' 72' ' ' LEU . 33.5 ttm -63.08 -66.38 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -39.58 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' MET . 25.6 t80 -83.07 -38.59 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.661 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.83 -26.23 57.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.435 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 78.3 t -72.85 -37.9 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 47.1 mtm -84.55 15.73 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.72 -26.8 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -119.75 -37.54 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.49 -48.13 69.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -42.34 -43.44 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -57.8 -48.95 78.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -57.38 -60.19 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.43 ' HB3' HG21 ' A' ' 35' ' ' VAL . 39.6 m0 -47.54 -45.99 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.744 ' CE2' HG11 ' A' ' 30' ' ' VAL . 78.1 t80 -49.04 -44.91 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 30' ' ' VAL . 35.1 mt -53.4 -58.97 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.53 -28.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 26' ' ' TYR . 17.1 mt -82.15 -53.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.744 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.9 m -62.88 -12.34 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.62 -44.09 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -107.86 -52.96 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 -20.94 2.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.45 ' HB2' ' C ' ' A' ' 45' ' ' ARG . 90.6 p -153.24 142.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 51' ' ' LEU . 14.5 p -90.13 130.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -82.96 150.96 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 52.6 t -63.31 110.91 4.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.7 m -101.2 -56.59 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.31 -30.36 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 63.55 41.54 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.49 -44.81 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.28 143.25 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.22 -177.67 19.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' C ' ' HB2' ' A' ' 34' ' ' SER . 3.6 tpm_? -139.11 129.89 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.403 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.626 ' HD3' HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -46.79 -19.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.626 HG23 ' HD3' ' A' ' 46' ' ' LYS . 13.8 p -141.87 174.51 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' GLU . 6.7 mt -78.81 -48.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' ILE . 5.8 mm-40 -34.05 -66.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.26 46.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 35' ' ' VAL . 7.8 tp -50.25 -54.42 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -43.49 -50.61 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -61.99 -26.3 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 78.8 t60 -79.43 -52.34 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.7 ptm -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.443 HG23 ' CG ' ' A' ' 71' ' ' GLN . 8.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -53.05 161.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 47.4 m-70 -104.87 -38.99 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 36.8 m-70 -50.48 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.7 p -100.5 -44.59 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.72 36.05 2.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 72' ' ' LEU . 3.4 tmtm? -75.8 152.88 37.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 69.9 mt-30 -131.81 115.15 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HG ' ' CD ' ' A' ' 70' ' ' LYS . 65.1 mt -127.57 166.33 18.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -56.39 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.1 p -81.22 110.04 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.7 tp -41.2 -56.48 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -39.26 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.21 -58.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.557 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 6.4 ttm -53.49 -52.05 60.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -47.43 -19.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.67 -40.05 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.643 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.7 -41.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 70.8 mtm -83.49 19.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.57 -21.73 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -126.52 -44.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.435 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 29.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -44.12 -45.33 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -43.47 -52.4 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -49.67 -47.99 49.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -59.14 -63.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.477 ' HB3' HG21 ' A' ' 35' ' ' VAL . 29.9 m0 -44.31 -43.15 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CE2' HG11 ' A' ' 30' ' ' VAL . 80.5 t80 -49.96 -44.41 50.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HA ' HG22 ' A' ' 30' ' ' VAL . 13.9 mt -56.31 -55.72 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.8 -26.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' HA ' ' N ' ' A' ' 34' ' ' SER . 26.9 mt -85.62 -55.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.6 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -63.63 -10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.97 -58.21 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -87.18 -41.3 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.08 5.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.402 ' N ' ' HA ' ' A' ' 29' ' ' ILE . 79.3 p -159.35 179.07 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.6 p -126.34 148.81 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -105.87 158.14 16.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -67.39 112.34 9.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.79 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.2 m -96.92 -60.26 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -97.9 -28.99 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 59.91 42.81 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.86 -47.86 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 m -122.73 139.64 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.72 -168.74 19.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -149.75 142.39 24.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -39.96 -55.05 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -127.35 -179.16 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.447 HG22 ' HD2' ' A' ' 52' ' ' LYS . 32.3 mt -63.11 -49.6 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.5 tt0 -37.0 -52.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.76 56.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 38' ' ' PRO . 5.3 tp -52.59 -52.57 54.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HD2' HG22 ' A' ' 48' ' ' ILE . 10.3 mttm -43.91 -47.93 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -64.26 -36.16 83.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.45 -56.95 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ptp -60.64 -26.92 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.922 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.486 HG23 ' HG2' ' A' ' 71' ' ' GLN . 7.7 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.352 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 23.1 t -64.22 161.22 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.44 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 37.7 m170 -106.05 -35.06 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -61.9 -63.03 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.3 p -95.79 -44.91 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.06 28.72 4.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -64.93 151.18 46.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.702 0.287 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG2' HG23 ' A' ' 64' ' ' THR . 14.8 mt-30 -134.83 95.64 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 78' ' ' MET . 85.9 mt -112.75 165.71 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 74' ' ' SER . 1.8 ptp180 -95.98 -31.45 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 84.4 p -94.96 111.49 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.2 tp -42.4 -65.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -38.4 -68.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.46 -52.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 7.2 ttm -57.74 -51.64 68.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -46.0 -33.29 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.73 -45.18 45.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -44.5 -38.23 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.52 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 87.5 t -68.96 -60.25 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.01 -15.4 22.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -72.84 -48.63 36.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 11.7 mt -63.36 -44.48 94.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -40.59 -40.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -62.14 -49.25 76.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.6 -59.86 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.509 ' HB3' HG21 ' A' ' 35' ' ' VAL . 45.8 m0 -47.92 -28.91 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.782 ' CE2' HG11 ' A' ' 30' ' ' VAL . 87.3 t80 -69.59 -51.66 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 mt -46.85 -50.14 19.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -47.57 -27.49 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.1 mt -83.01 -57.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.782 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.3 m -61.18 -14.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.27 -41.92 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -113.38 -47.31 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.96 -11.44 5.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.4 p -152.42 158.26 42.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.6 p -106.78 137.25 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -80.86 152.31 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.55 121.29 84.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.705 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.9 Cg_endo -69.75 -7.13 20.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.399 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -88.57 -65.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.4 -32.8 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.93 35.68 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.49 -46.58 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -124.77 141.92 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.5 161.67 12.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.82 149.17 28.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -42.26 -54.13 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 p -136.26 173.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.724 HG22 ' HE3' ' A' ' 52' ' ' LYS . 29.6 mt -54.9 -30.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.45 -54.46 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.51 72.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD11 ' HD2' ' A' ' 38' ' ' PRO . 23.3 tp -64.49 -59.07 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.724 ' HE3' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -49.8 -33.95 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -75.13 -26.41 59.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -85.0 -50.91 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.9 ptm -65.69 -27.41 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.801 0.334 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -72.11 161.84 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.526 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.2 m80 -105.45 -37.45 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -52.47 -67.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.21 -39.22 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.71 41.93 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -84.78 152.4 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -127.11 109.71 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 78' ' ' MET . 96.6 mt -122.75 159.65 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -81.0 -52.76 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -83.73 121.19 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.0 tp -54.45 -42.34 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.78 -41.68 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.592 ' HA ' HD12 ' A' ' 72' ' ' LEU . 31.0 ttm -67.32 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -39.48 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 48.3 t80 -78.44 -38.91 40.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.646 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -55.82 -28.04 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.432 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 70.1 t -81.39 -51.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.83 -9.37 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.0 -65.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -74.15 -48.81 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.54 -52.3 64.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.54 -45.01 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.47 -49.98 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -55.06 -58.3 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' TYR . 35.0 m0 -47.82 -58.06 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.879 ' O ' HG13 ' A' ' 30' ' ' VAL . 71.4 t80 -37.2 -50.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.691 ' HA ' HG22 ' A' ' 30' ' ' VAL . 27.9 mt -55.12 -52.89 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.98 -22.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 26' ' ' TYR . 3.4 mt -97.77 -35.16 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.3 m -78.33 -12.19 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.83 -53.66 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -89.34 -47.58 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.32 -17.21 4.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.8 m -160.7 145.58 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.71 147.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -103.56 157.12 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 t -64.9 112.42 8.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -1.47 8.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -101.1 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.9 p -98.8 -27.59 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 56.61 41.15 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.92 -43.66 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -133.72 133.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.28 -178.13 19.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -126.99 164.65 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -69.87 -25.38 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.51 171.9 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 49' ' ' GLU . 27.9 mt -69.73 -57.35 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' ILE . 47.2 mt-10 -34.43 -61.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.51 -45.84 75.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.8 tp -57.17 -51.45 69.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -39.91 -50.14 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -60.41 -34.75 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' LEU . 82.2 t60 -68.65 -55.86 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ptp -61.17 -23.22 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.881 0.372 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 17.7 t -58.76 160.83 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.439 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 82.5 t60 -107.38 -37.1 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -58.15 -57.79 11.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.1 -44.86 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.58 26.96 5.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.429 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 9.9 tttm -64.75 153.96 38.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -138.83 105.38 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -132.2 142.27 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -76.82 -27.06 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.9 m -98.64 107.03 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 tp -47.3 -43.54 22.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.22 -64.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.27 -44.8 44.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.563 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 26.7 ttm -59.1 -57.9 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -45.68 -20.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.27 -38.1 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -50.76 -30.29 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.462 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 86.0 t -72.49 -51.32 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.8 mtm -65.74 -24.09 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.96 -51.48 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 44.8 m-20 -83.83 -59.99 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.939 0.399 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.04 -34.5 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' HD13 ' A' ' 48' ' ' ILE . 1.7 mp0 -59.01 -25.44 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -88.18 -38.78 15.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -58.04 -47.35 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -56.75 -51.33 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.817 ' O ' HG13 ' A' ' 30' ' ' VAL . 77.3 t80 -45.24 -48.62 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' A' ' 30' ' ' VAL . 23.3 mt -54.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -37.29 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.577 HG23 ' C ' ' A' ' 33' ' ' GLY . 9.3 mt -85.37 -48.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.7 m -62.34 -13.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -101.66 -42.27 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -103.97 -52.22 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.577 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 139.92 -19.03 2.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.2 p -153.75 155.47 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.82 139.01 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 159.51 15.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 46.0 t -67.33 112.57 10.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.7 Cg_endo -69.79 -2.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.4 m -97.3 -57.25 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 p -104.11 -26.2 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' CYS . 82.8 mt-30 57.46 39.41 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.74 -44.81 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.72 138.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.63 177.24 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -132.43 166.26 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -60.01 -47.81 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.533 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.4 p -135.83 -175.24 3.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.549 HD11 ' HB2' ' A' ' 26' ' ' TYR . 36.4 mt -67.76 -40.4 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.41 -47.42 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.41 75.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 37' ' ' CYS . 3.5 tp -60.76 -43.11 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -49.85 -49.03 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -64.18 -14.72 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 78.7 t60 -92.62 -50.12 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.411 ' HB2' ' HE2' ' A' ' 55' ' ' MET . 8.1 ptm -70.49 -23.38 62.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.93 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.356 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -63.7 161.04 15.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 2.7 t-160 -105.61 -36.73 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -52.33 -66.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.6 p -99.1 -40.14 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.17 41.13 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 4.8 tmtm? -84.56 154.26 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 28.3 mt-30 -129.77 112.31 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 78' ' ' MET . 24.0 mt -118.76 144.04 46.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -53.06 -54.6 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -89.15 175.98 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.7 tp -99.88 -49.21 4.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.38 -66.43 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.19 -51.76 7.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.548 ' HA ' HD12 ' A' ' 72' ' ' LEU . 28.4 ttm -56.79 -65.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -40.69 -24.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' MET . 3.0 t80 -84.67 -37.31 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.651 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -57.44 -27.02 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.456 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 91.5 t -72.04 -50.72 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 mtm -68.84 -21.23 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.4 -54.43 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -84.75 -55.88 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 10.8 mt -45.79 -38.8 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.45 -52.05 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.4 -51.61 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -54.86 -52.38 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.592 ' CZ2' ' HG3' ' A' ' 38' ' ' PRO . 46.5 m0 -58.05 -40.33 80.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.752 ' CE2' HG11 ' A' ' 30' ' ' VAL . 77.6 t80 -55.27 -49.79 71.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HA ' HG22 ' A' ' 30' ' ' VAL . 14.3 mt -53.95 -56.23 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -42.74 -24.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 33' ' ' GLY . 16.2 mt -92.01 -53.94 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.752 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.2 m -59.49 -20.98 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.3 -47.72 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -102.58 -54.42 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.677 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 147.7 -23.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 p -148.38 176.1 10.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -127.14 148.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -100.69 154.07 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLN . 29.9 t -62.44 110.4 3.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.838 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.5 Cg_endo -69.77 -6.53 18.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -94.8 -53.21 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.7 p -105.3 -31.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' CYS . 57.1 mt-30 62.52 41.4 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.91 -43.32 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.81 141.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.94 19.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -130.41 153.48 48.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -46.3 -56.18 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.487 ' HA ' HD13 ' A' ' 29' ' ' ILE . 2.8 p -132.86 177.54 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.968 HG22 ' HD2' ' A' ' 52' ' ' LYS . 39.3 mt -50.79 -49.39 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -43.81 -54.37 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.99 92.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.838 HD11 ' HD2' ' A' ' 38' ' ' PRO . 11.0 tp -65.7 -58.03 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.968 ' HD2' HG22 ' A' ' 48' ' ' ILE . 6.1 mtpp -42.09 -54.28 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -58.25 -32.8 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -72.16 -54.79 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.451 ' CE ' ' CH2' ' A' ' 25' ' ' TRP . 10.0 ptp -64.55 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' HG2' ' A' ' 71' ' ' GLN . 6.4 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 10.6 t -49.66 161.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.476 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 5.6 m-70 -107.93 -35.64 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -58.41 -58.91 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.03 -45.8 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.97 32.01 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -68.57 152.49 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.9 mt-30 -133.27 103.71 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 78' ' ' MET . 41.7 mt -129.05 130.84 47.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.69 -47.59 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -82.74 113.22 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 tp -49.97 -46.91 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.91 -62.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.94 -43.77 31.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 35.8 ttm -62.22 -64.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -40.15 -24.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 52.9 t80 -82.79 -39.92 21.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 0.7 OUTLIER -51.81 -30.92 25.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.7 mtm -61.92 -21.42 64.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.18 -69.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -71.1 -54.81 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 21.0 mt -51.12 -32.97 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -53.91 -59.84 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -44.94 -52.55 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.18 -55.37 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.792 ' HB3' HG21 ' A' ' 35' ' ' VAL . 30.3 m0 -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.761 ' CE2' HG11 ' A' ' 30' ' ' VAL . 86.9 t80 -49.19 -52.51 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HA ' HG22 ' A' ' 30' ' ' VAL . 31.3 mt -47.3 -57.5 5.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -40.41 -31.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 47' ' ' THR . 42.9 mt -81.12 -55.48 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.761 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.9 m -61.74 -15.13 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -96.93 -46.29 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -106.85 -48.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 133.66 -13.02 4.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -152.87 145.57 24.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 25' ' ' TRP . 8.3 p -98.69 144.51 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -92.67 169.8 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.4 t -78.67 111.6 20.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.605 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.7 Cg_endo -69.78 -3.97 13.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -98.16 -50.35 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.3 p -106.72 -29.93 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' CYS . 54.7 mt-30 60.8 43.09 12.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.13 -39.77 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.77 174.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -145.47 162.71 28.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -114.46 171.38 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -58.28 -55.67 31.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.614 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.4 p -133.09 -175.36 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 mm -54.15 -49.9 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -45.55 -61.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.38 20.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 38' ' ' PRO . 6.9 tp -64.78 -38.22 90.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -52.62 -52.0 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -65.55 -13.63 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -89.43 -51.0 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 ptm -71.07 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.807 0.337 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 7.1 t -47.83 157.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.413 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 49.6 m80 -105.16 -33.1 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.71 -59.14 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.83 -43.46 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.96 33.13 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -78.34 153.86 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.5 mt-30 -129.86 123.5 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 78' ' ' MET . 77.9 mt -140.58 126.16 19.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -51.2 -44.57 61.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 t -87.79 149.72 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.2 tp -82.65 -49.55 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.63 -65.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.97 -55.65 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.519 ' HA ' HD12 ' A' ' 72' ' ' LEU . 30.4 ttm -52.94 -63.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' CE ' ' A' ' 83' ' ' MET . 5.9 mtpm? -42.14 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.9 t80 -85.51 -36.11 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.66 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -59.46 -26.8 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' HIS . 87.0 t -72.67 -49.4 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 79' ' ' LYS . 4.6 mpp? -68.66 -29.48 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.36 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -87.41 -52.12 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' VAL . 7.7 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.473 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.5 mt -50.15 -36.73 31.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 12.7 mt-10 -51.14 -60.74 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -44.51 -42.6 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.98 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CE3' ' HA ' ' A' ' 22' ' ' GLU . 16.5 m0 -48.19 -51.14 26.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.753 ' CE2' HG11 ' A' ' 30' ' ' VAL . 84.9 t80 -42.26 -48.99 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HA ' HG22 ' A' ' 30' ' ' VAL . 23.6 mt -53.87 -54.86 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -46.29 -23.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.413 HG23 ' C ' ' A' ' 33' ' ' GLY . 35.8 mt -90.53 -44.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.753 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.7 m -68.63 -15.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -102.86 -38.63 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -112.29 -49.6 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 130.06 -4.12 6.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -164.34 151.97 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.74 151.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -92.52 148.79 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.11 117.52 20.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.78 5.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.1 m -106.88 -57.65 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.8 p -97.72 -30.83 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.437 ' NE2' HH22 ' A' ' 73' ' ' ARG . 61.7 mt-30 61.1 44.15 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.94 -47.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.51 151.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.52 -176.37 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -124.01 154.28 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 40.9 mttm -69.76 0.68 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.91 163.25 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -68.2 -62.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -58.73 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.97 -46.85 19.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.1 -32.65 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 26.6 mmtt -58.12 -39.09 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -68.61 -33.14 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -75.98 -51.6 12.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.8 ptm -66.71 -38.3 86.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 6.1 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.24 158.4 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -106.71 -32.67 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.82 -57.45 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.04 -42.6 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.46 31.48 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -72.09 156.53 39.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.289 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -136.61 104.99 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 78' ' ' MET . 14.0 mt -119.28 148.72 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.437 HH22 ' NE2' ' A' ' 41' ' ' GLN . 1.5 ptp180 -78.51 -19.65 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.5 m -111.32 122.72 48.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.85 -44.83 91.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.25 -72.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -39.5 -48.17 2.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.519 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 29.0 ttm -57.77 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -44.72 -26.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -80.74 -38.34 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -53.1 -35.19 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.467 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 96.3 t -63.78 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtm -84.15 25.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.45 -44.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -98.84 -48.37 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.27 -37.99 38.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -46.7 -58.53 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -43.05 -44.78 4.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.61 -64.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.775 ' HB3' HG21 ' A' ' 35' ' ' VAL . 27.8 m0 -42.74 -57.44 2.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.777 ' HA ' HD12 ' A' ' 29' ' ' ILE . 84.3 t80 -37.93 -44.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 30' ' ' VAL . 54.8 mt -56.75 -49.23 75.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -53.21 -23.59 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 26' ' ' TYR . 6.6 mt -90.51 -33.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.5 m -85.7 -15.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -107.32 -52.46 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -89.39 -43.34 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.86 -3.26 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 p -165.64 141.76 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.775 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -96.53 137.57 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -96.57 154.24 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' HA ' HD11 ' A' ' 51' ' ' LEU . 22.4 t -54.59 119.18 19.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.3 Cg_endo -69.74 0.65 5.33 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.1 m -112.22 -60.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 p -92.95 -23.01 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.35 44.25 16.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.68 -33.37 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.81 144.34 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.64 -151.36 5.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -152.05 -175.45 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -92.58 31.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 50' ' ' GLY . 9.9 t -175.02 179.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.658 HD11 ' CA ' ' A' ' 26' ' ' TYR . 18.1 mt -102.88 -9.0 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.08 -49.99 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.456 ' H ' HG23 ' A' ' 47' ' ' THR . . . -69.96 -27.25 73.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG13 ' A' ' 35' ' ' VAL . 12.2 tp -76.17 -50.86 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 29.5 mtmt -43.91 -36.3 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.3 -32.92 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.7 t60 -80.86 -50.03 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.431 ' CG ' ' HA ' ' A' ' 52' ' ' LYS . 3.9 ppp? -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.452 HG23 ' HG2' ' A' ' 71' ' ' GLN . 8.6 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.824 0.345 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 5.9 t -61.52 161.34 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.483 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 14.1 m80 -106.85 -38.93 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -54.74 -62.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -99.99 -44.21 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.45 30.0 3.99 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.526 ' CE ' HD11 ' A' ' 72' ' ' LEU . 26.2 tttp -65.82 152.07 45.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.6 mt-30 -133.04 100.98 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.526 HD11 ' CE ' ' A' ' 70' ' ' LYS . 61.5 mt -125.61 144.37 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -72.66 -43.35 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -84.67 121.06 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 tp -54.96 -45.73 74.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.67 -67.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.28 -39.03 2.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.513 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.9 ttm -71.52 -47.67 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.49 -15.87 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.417 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 26.4 t80 -94.98 -21.5 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.3 p-80 -69.16 -32.13 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 86' ' ' HIS . 44.3 t -75.71 -52.13 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.417 ' CE ' ' HA ' ' A' ' 80' ' ' TYR . 25.0 ptp -54.33 -34.8 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.83 -72.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.51 -52.06 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.568 ' HB2' HG13 ' A' ' 82' ' ' VAL . 36.2 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -174.84 164.81 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -170.46 161.29 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.18 173.55 35.52 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -161.66 165.3 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -168.02 171.06 9.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.02 103.6 0.17 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -143.01 163.24 33.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.412 ' C ' HD12 ' A' ' 9' ' ' ILE . 2.7 pp -76.94 158.24 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -130.33 92.14 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -117.17 72.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -134.56 152.52 77.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.656 0.741 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 158.4 57.06 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.268 . . . . 0.0 112.364 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 169.1 19.75 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -44.95 -22.88 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -67.43 154.03 42.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.76 169.23 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.063 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.63 40.34 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.71 46.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.553 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 m -122.83 171.3 9.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.856 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLU . 11.9 mt -65.52 -46.94 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mt-10 -37.69 -49.21 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -56.89 -47.7 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -54.23 -59.36 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.614 ' HB3' HG21 ' A' ' 35' ' ' VAL . 18.5 m0 -54.03 -39.79 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.727 ' CE2' HG11 ' A' ' 30' ' ' VAL . 85.2 t80 -55.83 -49.27 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' HG22 ' A' ' 30' ' ' VAL . 18.0 mt -53.18 -56.81 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.65 -24.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 47' ' ' THR . 38.4 mt -88.99 -56.74 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.727 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.4 m -60.11 -14.57 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -101.14 -43.93 5.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -105.06 -51.25 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 134.31 -13.32 4.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.4 p -152.44 163.18 40.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.839 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 25' ' ' TRP . 12.2 p -126.43 143.51 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.2 t -92.66 168.83 10.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.9 t -86.63 124.55 69.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -11.52 31.0 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 49.9 m -88.67 -64.78 1.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 p -88.12 -38.28 15.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 63.3 40.16 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.57 -37.59 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.2 m -129.28 134.07 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.48 -168.8 16.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -138.46 166.61 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -62.99 -27.18 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.613 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.1 p -155.72 -176.52 6.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.477 HG22 ' HG3' ' A' ' 52' ' ' LYS . 36.2 mt -70.86 -56.3 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.9 mt-10 -33.84 -53.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.81 -45.22 96.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.6 tp -59.03 -52.93 63.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.477 ' HG3' HG22 ' A' ' 48' ' ' ILE . 7.6 mtmp? -37.08 -53.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -58.03 -35.83 71.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t60 -67.3 -54.14 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.831 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.6 ptp -66.28 -23.68 66.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.79 -23.77 13.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -123.05 -39.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' GLN . 6.1 t -59.82 -35.24 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -47.12 89.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' CYS . 39.7 mt-30 -119.55 170.67 8.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.47 128.34 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 73' ' ' ARG . 3.5 mmt -94.67 157.24 16.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -132.03 164.57 25.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.1 m -157.32 112.69 2.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.113 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.522 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 1.4 t -52.79 161.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.522 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 29.7 m80 -105.3 -40.28 5.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -47.82 -61.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.87 -43.83 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.88 32.11 2.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.0 ttmm -69.55 155.76 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.746 0.307 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -132.48 108.43 9.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD11 ' HD3' ' A' ' 70' ' ' LYS . 51.8 mt -128.76 144.77 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.476 ' HA ' ' CE ' ' A' ' 62' ' ' MET . 31.7 ttp180 -63.6 -57.89 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 p -74.09 114.75 12.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 46.1 tp -55.56 -45.12 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.54 -62.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.35 -46.14 16.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -63.36 -61.68 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -43.9 -21.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' MET . 40.4 t80 -87.8 -34.16 18.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.638 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -61.14 -23.18 65.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.2 t -80.72 -51.34 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.5 mtm -63.23 -16.65 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.05 -60.26 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -74.36 -52.07 13.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -89.67 46.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -77.32 99.52 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -117.72 78.93 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 89' ' ' LEU . 4.1 pp -62.48 129.78 92.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -130.04 -60.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -157.35 174.97 34.85 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 0.06 6.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.74 2.294 . . . . 0.0 112.37 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 p -155.07 167.29 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.4 t -92.14 -46.29 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.536 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -172.31 167.57 5.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -166.93 173.8 9.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.47 -179.47 29.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -156.64 176.46 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.933 0.397 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -174.36 171.23 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.57 -178.4 20.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -151.76 165.77 33.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' CD1' ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -83.26 172.42 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -130.03 -69.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mmmt -150.37 176.97 10.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -134.39 131.86 20.69 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.679 0.752 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.71 11.35 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 173.42 11.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -43.1 -38.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -95.1 164.76 12.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.66 171.62 14.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.088 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.09 75.2 8.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.39 38.79 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.6 m -120.65 179.29 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD21 ' NH2' ' A' ' 73' ' ' ARG . 11.7 mt -71.02 -53.73 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' LEU . 12.0 mt-10 -36.29 -41.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -59.97 -50.43 73.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HA ' HD12 ' A' ' 27' ' ' LEU . 79.2 mt-30 -57.88 -56.81 17.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CZ2' HD13 ' A' ' 21' ' ' LEU . 26.8 m0 -51.5 -42.28 61.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 30' ' ' VAL . 84.4 t80 -54.96 -47.85 73.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 24' ' ' GLN . 16.0 mt -55.32 -53.77 51.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -46.01 -22.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 26' ' ' TYR . 11.4 mt -91.21 -57.75 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -57.08 -14.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -100.66 -41.01 7.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -107.56 -53.13 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 141.19 -16.21 2.75 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.4 p -157.52 170.11 23.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.7 p -123.84 146.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -94.91 157.79 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 12.1 t -66.78 111.5 7.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HD2' HD11 ' A' ' 51' ' ' LEU . 54.1 Cg_endo -69.76 -3.44 12.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.633 HG21 ' O ' ' A' ' 59' ' ' LYS . 4.1 m -103.41 -57.18 2.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -95.36 -29.16 14.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 55.6 46.38 22.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.72 -40.01 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.31 144.84 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.42 ' O ' ' NH1' ' A' ' 45' ' ' ARG . . . -113.57 -178.74 19.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 44' ' ' GLY . 25.5 mmt-85 -135.77 156.66 48.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -53.73 -51.54 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -129.87 166.72 19.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.5 mt -51.48 -38.07 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -50.16 -56.92 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.62 -40.2 92.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.628 HD11 ' HD2' ' A' ' 38' ' ' PRO . 5.5 tp -62.61 -54.16 43.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.926 0.393 . . . . 0.0 110.962 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.3 -55.54 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -31.15 69.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -71.04 -55.11 8.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 12.5 ptm -66.18 -21.66 66.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.52 -40.07 71.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -108.3 -41.53 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.33 -68.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.633 ' O ' HG21 ' A' ' 39' ' ' THR . 23.1 tptt -173.72 134.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -134.06 71.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -151.98 171.57 17.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.2 mmm -119.16 -179.86 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -119.68 138.19 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.5 m -141.01 118.16 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 19.1 t -56.34 158.95 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.407 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 71.6 m80 -107.71 -34.52 6.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -58.31 -56.89 16.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.0 p -104.07 -46.5 4.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.56 32.83 2.83 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HD3' HD11 ' A' ' 72' ' ' LEU . 28.9 tttm -71.95 157.9 37.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.756 0.312 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.91 105.16 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.566 HD11 ' HD3' ' A' ' 70' ' ' LYS . 10.7 mt -128.71 152.65 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.523 ' NH2' HD21 ' A' ' 21' ' ' LEU . 72.2 mtp180 -79.19 -55.29 5.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -75.37 114.97 14.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.9 tp -50.51 -43.22 55.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.48 -61.17 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.88 -47.21 25.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 81' ' ' HIS . 31.0 ttm -63.19 -62.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -39.68 -29.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 78' ' ' MET . 49.0 t80 -77.61 -38.75 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.9 OUTLIER -52.96 -32.37 45.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.84 -50.02 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.7 mtm -65.27 -20.6 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.12 -61.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -73.4 -59.7 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -85.74 39.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -57.99 147.86 27.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.2 p -118.37 137.47 53.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.68 152.48 74.56 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 161.62 45.24 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.71 2.273 . . . . 0.0 112.326 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.3 m -78.16 94.02 4.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.25 174.13 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 172.85 11.95 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.659 2.24 . . . . 0.0 112.349 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 95' ' ' SER . 99.1 p -69.71 -23.49 63.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 94' ' ' SER . 28.3 t 35.82 46.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.494 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.5 p -172.26 168.51 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 110.84 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -174.66 170.86 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.16 -169.15 42.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.438 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 p -171.02 154.85 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -154.77 176.57 12.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.3 113.76 3.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -101.66 43.24 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt 39.25 49.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.6 mtp180 -126.74 94.98 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -164.23 120.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.38 128.26 4.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 53.6 Cg_endo -69.75 167.16 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.48 2.94 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.707 2.271 . . . . 0.0 112.349 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -43.21 -38.19 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -66.06 161.71 21.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' ' 20' ' ' SER . . . -68.76 159.27 32.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HB2' ' HG3' ' A' ' 13' ' ' PRO . . . -84.89 81.77 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.39 51.37 0.92 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.467 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 2.9 m -125.95 165.62 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' GLU . 52.0 mt -62.44 -39.94 94.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' LEU . 36.3 mt-10 -36.7 -59.08 0.7 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -45.71 -56.99 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' HA ' HD12 ' A' ' 27' ' ' LEU . 71.1 mt-30 -49.75 -63.69 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 50.6 m0 -46.75 -47.23 20.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.707 ' CE2' HG11 ' A' ' 30' ' ' VAL . 71.4 t80 -52.53 -49.95 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HA ' HG22 ' A' ' 30' ' ' VAL . 24.1 mt -51.6 -52.61 46.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -48.03 -21.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 47' ' ' THR . 38.3 mt -92.26 -47.73 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -66.27 -15.61 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.3 t0 -99.32 -50.65 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.3 mmpt? -97.3 -44.83 6.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.76 -14.06 5.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.7 p -155.7 168.36 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.5 p -117.71 147.58 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.0 t -102.98 162.82 12.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.51 ' HA ' HD11 ' A' ' 51' ' ' LEU . 46.7 t -73.76 111.94 14.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.711 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.4 Cg_endo -69.79 -3.92 13.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 58' ' ' CYS . 25.2 m -94.44 -51.85 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -112.04 -26.59 8.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 37' ' ' CYS . 76.6 mt-30 58.65 39.33 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.2 -41.2 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.674 ' CG2' ' CE1' ' A' ' 54' ' ' HIS . 26.7 m -132.2 142.27 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.57 -176.3 18.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -140.16 147.73 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -41.01 -56.14 2.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.648 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -130.53 171.54 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -50.3 -54.13 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ILE . 50.0 mt-10 -37.18 -50.55 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -64.73 -42.36 97.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 37' ' ' CYS . 7.9 tp -61.57 -51.46 68.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.94 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -42.64 -45.69 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -64.78 -31.25 72.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.674 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 86.1 t60 -75.88 -50.84 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.505 ' HB2' ' HE3' ' A' ' 55' ' ' MET . 6.8 ptm -67.41 -28.24 67.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.85 -39.1 80.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -103.94 -2.36 26.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.548 ' O ' HG21 ' A' ' 39' ' ' THR . 42.0 t -112.99 20.0 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 173.69 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.542 ' NE2' HG23 ' A' ' 39' ' ' THR . 0.4 OUTLIER -109.75 142.13 41.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -48.81 138.93 10.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 66.6 mtp -120.04 168.77 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' A' ' 75' ' ' LEU . 5.3 m-85 -125.26 177.76 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.5 m -161.15 117.84 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.6 OUTLIER -60.13 160.83 7.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.502 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 22.4 m170 -100.29 -39.8 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 26.9 m-70 -55.23 -72.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.1 p -88.61 -47.76 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.78 40.04 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.0 tttt -79.11 162.78 25.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -134.64 102.82 5.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.8 mt -115.33 141.56 47.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -67.77 -25.7 65.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.6 t -105.37 150.67 25.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 15.2 tp -84.1 -48.2 10.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.63 -61.31 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.12 -44.86 20.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.543 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -64.65 -64.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 78' ' ' MET . 9.6 mtmp? -39.1 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.6 t80 -82.45 -40.08 21.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.632 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.82 -25.07 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -72.99 -60.86 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -62.68 -23.87 67.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.01 -61.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 81' ' ' HIS . 4.6 m120 -64.26 -61.15 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 48.9 m-70 -73.29 -43.57 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' SER . 14.5 p30 39.41 35.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' ASN . 54.3 p -34.59 108.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.46 130.94 87.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -44.05 2.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.32 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.2 t -75.45 95.72 3.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.43 179.05 15.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 174.14 9.88 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 65.3 m -78.69 152.42 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.7 t -107.13 144.66 33.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.45 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m 62.45 42.8 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -70.36 149.44 47.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.39 158.15 19.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -99.93 160.39 14.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -119.08 -46.37 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.42 -150.05 17.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -146.39 169.02 19.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.4 mt -127.64 117.79 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.2 ptp85 -109.22 129.95 55.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -92.99 128.77 38.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -136.18 138.49 27.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.706 0.765 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.0 64.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.0 Cg_endo -69.78 164.9 32.84 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.556 HG13 ' CD1' ' A' ' 16' ' ' TYR . 7.9 p -34.1 -40.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CD1' HG13 ' A' ' 15' ' ' VAL . 1.9 m-85 -59.77 143.96 49.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.16 172.63 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.45 78.37 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.68 53.82 0.62 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -133.31 173.39 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 0.0 110.889 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 9.4 mt -55.35 -59.22 5.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.513 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 42.9 mt-10 -34.46 -46.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -60.09 -52.46 65.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -51.16 -53.52 33.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.3 m0 -53.41 -56.43 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.726 ' HA ' HD12 ' A' ' 29' ' ' ILE . 66.1 t80 -38.79 -56.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HA ' HG22 ' A' ' 30' ' ' VAL . 97.4 mt -47.85 -59.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -40.88 -24.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 26' ' ' TYR . 8.4 mt -90.15 -49.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.8 m -64.8 -15.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -101.52 -33.31 9.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -113.95 -55.46 2.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.508 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 142.7 -19.75 2.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.513 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.5 p -148.84 178.16 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.7 p -138.2 153.1 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.1 t -95.59 162.14 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 51' ' ' LEU . 50.0 t -78.65 113.92 38.97 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -0.24 6.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.465 HG21 ' O ' ' A' ' 58' ' ' CYS . 4.1 m -96.07 -50.8 4.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.3 p -117.92 -26.07 6.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' CYS . 48.1 mt-30 59.84 44.62 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.74 -34.64 5.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.07 148.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -117.01 -176.47 17.69 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -142.23 152.36 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' O ' HG23 ' A' ' 47' ' ' THR . 32.8 mttp -61.29 -12.2 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 46' ' ' LYS . 0.8 OUTLIER -159.77 -177.09 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 52' ' ' LYS . 31.2 mt -83.05 -46.98 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -40.1 -40.25 1.04 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -81.09 -32.84 30.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.586 HD11 ' HA ' ' A' ' 37' ' ' CYS . 11.4 tp -68.43 -48.09 65.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.729 ' HD2' HG22 ' A' ' 48' ' ' ILE . 4.6 mtpm? -46.72 -47.04 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -62.27 -35.14 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -71.76 -54.15 11.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.0 ptp -63.65 -25.9 68.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.01 -29.16 67.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -112.44 -1.98 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.465 ' O ' HG21 ' A' ' 39' ' ' THR . 5.1 t -89.27 12.56 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 tttt 69.62 53.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.422 ' HA ' HG23 ' A' ' 39' ' ' THR . 7.1 pt20 -66.84 107.56 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -161.48 144.83 12.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 25.5 mmm -111.36 173.27 6.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 13.2 m-85 -117.82 128.83 55.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.5 m -134.2 112.25 10.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.516 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -59.18 162.59 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.516 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 34.1 m80 -107.03 -38.71 5.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -52.49 -62.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.37 -43.18 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.16 44.04 2.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -86.68 163.18 17.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.724 0.297 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -134.13 105.76 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.1 mt -122.52 128.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -55.67 -42.39 75.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.5 m -89.11 134.78 33.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 46.7 tp -70.66 -56.58 6.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -39.37 -63.82 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.22 -43.82 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.557 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 21.7 ttm -64.59 -58.06 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -46.17 -20.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 78' ' ' MET . 14.2 t80 -89.21 -31.4 17.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.637 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -63.91 -24.24 67.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.2 t -75.41 -54.99 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 69.5 mtm -65.53 -9.65 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.05 -59.88 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -82.39 -52.17 7.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -86.26 39.76 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.425 ' C ' ' OD1' ' A' ' 87' ' ' ASN . 20.6 t-20 -65.8 108.98 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.2 p -97.45 -37.22 10.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 71.8 mt -54.12 153.78 8.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.594 0.711 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -5.63 16.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -53.28 145.17 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 136.07 128.91 2.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 156.47 63.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.0 t -106.04 156.25 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.82 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 93.8 p -79.29 -52.97 7.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.504 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -93.83 150.03 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -97.68 87.56 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.72 -64.18 4.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.53 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -174.23 176.28 2.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -155.05 138.64 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.77 173.05 45.38 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -149.07 143.96 26.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.7 pt -131.24 140.29 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -147.26 128.79 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -105.03 36.28 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -85.51 160.3 54.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.17 18.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.264 . . . . 0.0 112.313 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -176.87 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.7 p -56.08 -30.72 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' OH ' ' CD1' ' A' ' 26' ' ' TYR . 8.4 m-85 -66.12 134.98 53.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.815 ' HB3' ' OG ' ' A' ' 20' ' ' SER . . . -56.2 166.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.03 77.62 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.0 -33.42 2.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.815 ' OG ' ' HB3' ' A' ' 17' ' ' ALA . 15.7 p -52.46 150.25 5.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 11.6 mt -51.82 -35.27 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -50.59 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -52.79 -50.78 62.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 27' ' ' LEU . 62.0 mt-30 -59.45 -60.36 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.457 ' CZ2' HD13 ' A' ' 21' ' ' LEU . 22.5 m0 -44.6 -45.76 9.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.733 ' HA ' HD12 ' A' ' 29' ' ' ILE . 76.6 t80 -56.71 -48.38 77.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 24' ' ' GLN . 82.4 mt -48.97 -54.42 15.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -44.63 -26.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 26' ' ' TYR . 16.3 mt -83.52 -55.8 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.7 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.0 m -59.07 -15.79 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -97.86 -43.83 6.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -109.01 -51.58 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 132.77 -5.0 5.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.534 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -157.91 147.4 19.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.2 p -103.83 136.53 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 t -76.61 170.13 16.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.2 t -94.64 120.93 64.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.836 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.81 -4.9 15.0 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -95.19 -62.48 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.3 p -98.14 -28.94 13.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 57.14 37.96 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.64 -35.45 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -135.35 175.45 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.07 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.65 159.21 28.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HG2' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -100.69 173.97 6.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.844 -179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -70.66 -45.44 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.89 -177.62 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 26' ' ' TYR . 6.2 mm -65.15 -53.27 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -43.59 -59.27 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.414 ' C ' ' HG2' ' A' ' 45' ' ' ARG . . . -44.72 -43.52 8.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HD2' ' A' ' 38' ' ' PRO . 12.7 tp -61.87 -47.32 85.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' A' ' 52' ' ' LYS . 1.2 mpmm? -45.99 -58.18 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -56.9 -31.46 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 72.8 t60 -71.37 -51.6 23.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 8.0 ptm -72.38 -10.77 60.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.86 -39.1 93.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -107.3 -38.35 5.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' GLN . 49.2 t -41.56 -36.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 58' ' ' CYS . 30.1 mtpt -33.16 93.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 58' ' ' CYS . 29.3 mt-30 -56.52 108.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -164.03 128.87 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 40.6 mtp -145.62 174.08 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -132.49 166.7 21.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 30.9 m -147.19 129.69 15.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 18.3 t -63.6 162.21 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.462 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 19.1 m80 -102.83 -37.81 7.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -60.87 -61.98 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.6 p -101.26 -48.1 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.41 23.99 4.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -61.96 155.15 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -130.94 102.75 6.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.743 HD12 ' HA ' ' A' ' 78' ' ' MET . 22.0 mt -112.45 147.73 35.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -71.95 -27.33 62.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -112.24 152.33 28.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -80.11 -42.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.54 -71.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.46 -36.68 3.28 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.743 ' HA ' HD12 ' A' ' 72' ' ' LEU . 26.0 ttm -67.96 -58.12 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -43.85 -21.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 24.7 t80 -86.6 -39.9 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.56 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.3 OUTLIER -50.07 -33.71 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.463 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 73.6 t -64.94 -42.47 94.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 45.2 mtm -82.58 18.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.54 -37.76 3.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.44 -24.38 7.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -104.39 105.7 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 74.83 39.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.5 t -165.15 147.61 8.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -98.95 152.7 37.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.565 0.698 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.28 28.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.231 . . . . 0.0 112.361 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 t -112.59 111.65 22.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 172.9 -155.64 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.07 13.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.269 . . . . 0.0 112.318 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.9 m -80.3 -60.26 2.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 t -158.94 172.51 18.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.507 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -149.72 152.8 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 m -161.11 177.76 9.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.91 -171.93 27.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -149.61 151.47 33.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -165.58 172.91 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.23 170.87 40.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 8' ' ' ARG . 9.7 ttm105 -171.81 157.12 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 pt -97.63 177.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -115.35 -64.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.99 132.85 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -77.77 150.01 78.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.666 0.746 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 152.71 69.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 177.1 5.92 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.1 p -50.61 -48.39 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.537 ' N ' HG13 ' A' ' 15' ' ' VAL . 1.7 m-85 -48.86 150.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.99 167.28 16.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.27 40.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.18 46.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.3 m -125.63 170.77 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.863 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD23 HE21 ' A' ' 24' ' ' GLN . 15.1 mt -73.05 -44.65 60.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -41.48 -41.06 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.27 -50.68 72.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.452 HE21 HD23 ' A' ' 21' ' ' LEU . 20.1 mt-30 -57.01 -54.65 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.433 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 20.4 m0 -56.93 -35.25 68.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.593 ' CE2' HG11 ' A' ' 30' ' ' VAL . 79.5 t80 -59.96 -53.53 56.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.58 ' HA ' HG22 ' A' ' 30' ' ' VAL . 82.3 mt -50.96 -58.99 4.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.79 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 47' ' ' THR . 29.8 mt -89.43 -46.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.1 m -70.07 -13.68 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.93 -33.89 8.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -114.27 -45.29 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 129.87 -16.77 5.53 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 94.4 p -154.77 168.89 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.43 ' O ' ' CA ' ' A' ' 44' ' ' GLY . 9.9 p -119.79 150.55 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.3 t -100.79 166.64 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' HD11 ' A' ' 51' ' ' LEU . 47.9 t -76.27 112.26 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.64 ' HD2' HD11 ' A' ' 51' ' ' LEU . 54.0 Cg_endo -69.76 0.17 6.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.545 HG21 ' O ' ' A' ' 58' ' ' CYS . 22.6 m -100.85 -52.53 3.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -107.52 -24.42 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' CYS . 66.0 mt-30 55.1 40.95 32.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.32 -34.41 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.17 175.0 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -146.4 175.85 25.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 15.9 mmt180 -132.4 151.95 51.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -46.03 -53.41 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.533 ' HA ' HD13 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -129.7 177.73 7.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLU . 49.3 mt -57.47 -53.88 38.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' ILE . 61.0 mt-10 -37.96 -50.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.53 -58.71 12.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 ' HD2' ' A' ' 38' ' ' PRO . 3.6 tp -48.11 -53.33 16.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.885 0.374 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 51' ' ' LEU . 61.6 mttt -37.44 -55.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.32 -34.01 70.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LEU . 82.5 t60 -70.78 -46.25 63.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.9 ptm -76.28 -8.71 57.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -70.01 -35.83 74.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -113.82 -0.44 14.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' O ' HG21 ' A' ' 39' ' ' THR . 43.7 t -103.48 22.06 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -73.51 142.59 46.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.2 175.02 4.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.57 135.35 34.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.491 ' HG3' ' N ' ' A' ' 63' ' ' PHE . 0.6 OUTLIER -112.16 144.31 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.491 ' N ' ' HG3' ' A' ' 62' ' ' MET . 8.1 m-85 -81.84 136.68 35.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.0 m -141.03 114.91 9.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 2.4 t -53.21 161.59 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.498 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 12.3 t60 -103.61 -39.9 6.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -57.53 -69.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.7 p -90.18 -44.44 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.41 31.28 4.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' HD11 ' A' ' 72' ' ' LEU . 15.8 tttp -65.79 160.05 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.79 0.329 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -135.6 106.68 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 78' ' ' MET . 68.2 mt -128.51 150.98 49.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -79.8 -44.27 20.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 75.8 m -86.31 111.78 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 tp -48.07 -46.96 34.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.47 -72.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -38.37 -45.14 1.79 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.516 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 19.3 ttm -62.96 -54.2 42.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -46.8 -24.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -84.14 -39.72 19.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.52 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -48.01 -35.98 11.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.457 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 77.2 t -69.67 -42.42 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.4 mtm -82.62 19.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.62 -29.35 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -116.89 -52.57 2.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -72.8 -68.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -99.36 75.45 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.34 156.91 19.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.88 129.1 92.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.61 9.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.644 2.23 . . . . 0.0 112.357 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.5 t -42.09 -52.63 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.91 -101.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 162.3 42.6 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.373 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -98.48 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.1 t -57.19 -45.98 83.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.457 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -144.64 150.82 38.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.846 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -147.83 163.28 37.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.66 -151.97 5.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -162.58 172.65 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -128.34 174.05 9.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.96 -127.33 3.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -138.89 129.21 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tt -71.85 147.13 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -77.87 132.73 38.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 146.47 1.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -88.76 126.07 60.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.08 8.74 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -168.6 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.3 p -40.43 -46.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE2' ' HA ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -101.94 168.79 9.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 174.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.097 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.02 39.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.75 49.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -117.77 176.95 4.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.904 0.383 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.0 mt -78.84 -43.13 25.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -45.63 -38.33 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . 14.8 tt0 -63.66 -55.55 22.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -48.0 -61.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.562 ' HB3' HG21 ' A' ' 35' ' ' VAL . 23.3 m0 -47.23 -49.33 23.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.622 ' HA ' HD12 ' A' ' 29' ' ' ILE . 84.8 t80 -48.94 -47.26 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' HA ' HG22 ' A' ' 30' ' ' VAL . 37.1 mt -57.43 -49.03 77.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -52.82 -15.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 26' ' ' TYR . 15.5 mt -97.45 -48.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.591 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.4 m -65.62 -17.66 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -97.6 -37.77 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -109.58 -57.29 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 146.22 -16.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.0 p -157.06 169.07 25.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.903 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -124.18 144.14 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.4 t -99.7 150.92 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.12 115.75 11.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.624 0.726 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -4.15 13.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 26.0 m -95.56 -61.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -99.09 -32.87 11.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 64.45 37.7 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -106.15 -35.33 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -138.02 156.94 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.74 -171.0 12.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 51' ' ' LEU . 2.7 mmp_? -145.89 153.58 41.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -52.71 -47.25 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.27 155.88 48.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.8 mt -41.62 -51.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 48' ' ' ILE . 9.9 pt-20 -36.83 -49.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.39 -54.64 32.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' A' ' 45' ' ' ARG . 5.6 tp -53.5 -47.31 69.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -40.88 -53.7 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -58.66 -34.2 70.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -70.54 -50.8 33.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.4 ptp -73.1 -22.09 60.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -52.91 -16.23 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -132.27 -35.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.6 -46.77 68.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 tptp -42.84 119.68 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -87.67 148.77 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.76 139.6 56.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 mtp -140.14 176.51 8.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -129.41 163.76 25.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 71' ' ' GLN . 1.8 m -163.97 116.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 4.4 t -59.53 160.33 7.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.467 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 79.2 m-70 -104.91 -37.58 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -54.68 -62.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.82 -46.96 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.14 36.91 2.41 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -78.45 151.77 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.505 ' HG2' HG23 ' A' ' 64' ' ' THR . 34.3 mt-30 -126.23 103.09 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 78' ' ' MET . 45.2 mt -117.07 148.07 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -66.95 -55.55 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -81.09 159.82 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.1 tp -88.05 -52.66 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -43.3 -58.23 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.47 -44.58 53.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 80' ' ' TYR . 18.4 ttm -67.65 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' N ' ' HG2' ' A' ' 78' ' ' MET . 25.7 mttt -37.83 -27.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER -81.26 -43.68 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.63 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.1 OUTLIER -48.6 -25.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.54 HG13 ' HD2' ' A' ' 86' ' ' HIS . 73.2 t -75.6 -42.47 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 65.7 mtm -80.62 14.23 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.35 -55.49 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -85.01 -42.02 15.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.54 ' HD2' HG13 ' A' ' 82' ' ' VAL . 18.2 m-70 -85.8 -47.79 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 86' ' ' HIS . 11.2 t-20 34.38 35.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 86' ' ' HIS . 56.7 p -107.4 114.45 28.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.66 131.51 21.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.721 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.31 59.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.677 2.251 . . . . 0.0 112.302 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 t -55.65 99.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.45 125.83 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.37 28.46 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.5 m -102.77 124.97 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -122.45 95.51 4.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -173.12 146.3 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.87 0.366 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -160.86 169.98 21.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.78 170.47 42.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -170.44 159.6 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 p -173.71 169.11 4.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.48 127.34 1.44 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -123.33 112.86 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 tt -80.37 128.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -148.77 114.81 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -161.47 108.58 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -133.33 152.97 80.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 143.17 50.18 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -174.52 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.632 2.222 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.73 -32.43 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -63.74 139.98 58.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 172.21 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.92 77.78 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.59 45.94 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -128.61 177.74 6.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.939 0.399 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 20.8 mt -67.95 -43.11 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -41.84 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -53.6 -52.84 58.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' HA ' HD12 ' A' ' 27' ' ' LEU . 27.1 mt-30 -47.77 -67.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 21.5 m0 -46.07 -53.16 10.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.679 ' O ' HG13 ' A' ' 30' ' ' VAL . 65.4 t80 -41.09 -47.67 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HA ' HG22 ' A' ' 30' ' ' VAL . 12.3 mt -57.6 -54.28 48.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -45.69 -24.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 33' ' ' GLY . 23.3 mt -90.71 -52.85 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.5 m -62.71 -13.99 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -101.87 -42.21 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -107.76 -47.88 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 137.18 -19.13 3.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -155.0 171.45 19.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.45 142.2 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 t -95.83 165.02 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 17.2 t -73.09 112.53 15.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.9 Cg_endo -69.77 -1.79 9.08 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.4 HG21 ' O ' ' A' ' 58' ' ' CYS . 26.7 m -103.15 -59.01 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.5 p -96.04 -30.52 13.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 59.27 44.9 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.19 -41.48 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -132.78 151.86 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.81 -173.4 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -138.27 149.98 46.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -51.34 -50.38 59.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 p -126.51 172.68 10.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' GLU . 37.8 mt -59.22 -51.49 72.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' ILE . 69.2 mm-40 -37.91 -52.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -60.18 -55.31 30.9 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' HIS . 3.7 tp -50.7 -51.87 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 64.5 mttt -41.55 -47.99 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.62 -31.64 72.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' LEU . 68.5 t60 -71.66 -55.04 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' GLU . 9.9 ptm -68.84 -40.74 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 5.7 mm-40 -34.2 -39.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.61 -13.23 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 55' ' ' MET . 42.1 t -106.5 22.84 15.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -89.81 37.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -143.98 -177.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -118.95 137.38 53.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 83.6 mtp -150.98 178.71 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.517 ' CE2' HD13 ' A' ' 75' ' ' LEU . 30.0 m-85 -134.2 174.31 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m -154.56 122.25 5.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 6.6 t -59.49 161.79 5.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.48 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.8 m170 -103.94 -38.6 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -59.19 -66.51 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.85 -47.57 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.75 26.71 4.63 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HD3' HD11 ' A' ' 72' ' ' LEU . 27.4 tttm -63.84 154.4 33.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.737 0.303 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -134.9 101.82 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.507 HD11 ' HD3' ' A' ' 70' ' ' LYS . 16.8 mt -121.58 152.84 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -77.1 -47.87 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.6 m -85.53 121.16 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.517 HD13 ' CE2' ' A' ' 63' ' ' PHE . 13.8 tp -56.75 -45.51 81.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.14 -66.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.15 -46.13 10.24 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.508 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 27.1 ttm -59.36 -60.43 3.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -42.39 -26.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -81.2 -38.93 26.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.7 OUTLIER -50.82 -34.45 27.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.434 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 93.6 t -69.52 -45.09 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.7 mtm -55.23 -19.24 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.4 -67.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -53.54 -27.35 25.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ASN . 11.6 m-70 -134.39 -173.39 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' HIS . 5.5 m120 34.16 48.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -170.35 141.81 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -99.3 127.84 33.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.574 0.702 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.19 67.93 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.26 . . . . 0.0 112.362 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.9 t -68.68 174.02 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 93' ' ' PRO . . . -121.34 113.98 2.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 95' ' ' SER . 54.0 Cg_endo -69.77 2.9 3.13 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 p -61.68 75.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 93' ' ' PRO . 60.5 p -120.72 153.47 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.475 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -115.25 166.57 11.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -164.54 170.05 16.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.96 -153.4 6.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -136.32 144.07 44.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -157.8 151.34 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.25 86.82 0.19 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.15 111.19 23.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.4 mt -124.86 147.57 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' LYS . 12.9 mmm180 -114.7 50.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' ARG . 9.2 pttt 34.42 37.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 10' ' ' ARG . 48.1 mt-10 -74.29 122.34 87.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.668 0.747 . . . . 0.0 110.853 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.88 69.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -176.38 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.647 2.231 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.4 p -54.02 -44.56 62.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -90.51 163.49 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.84 170.98 15.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.63 47.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.55 39.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.5 p -116.64 149.92 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.858 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.4 mt -41.06 -35.22 0.52 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 16' ' ' TYR . 15.5 mt-10 -51.75 -60.74 2.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -44.18 -49.6 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -55.89 -62.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.428 ' HB3' HG21 ' A' ' 35' ' ' VAL . 31.1 m0 -46.46 -43.47 16.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.757 ' CE2' HG11 ' A' ' 30' ' ' VAL . 79.5 t80 -51.55 -53.89 33.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.484 ' HA ' HG22 ' A' ' 30' ' ' VAL . 15.9 mt -48.44 -56.46 8.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.63 -31.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 47' ' ' THR . 31.1 mt -83.35 -56.65 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.757 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -57.25 -17.1 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 3.9 t0 -97.6 -58.72 1.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 9.9 mmpt? -90.92 -50.08 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 137.48 -15.95 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.3 p -152.26 168.22 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.2 p -121.36 145.43 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.8 t -93.84 166.36 12.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.2 t -85.16 118.74 71.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.43 18.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.977 HG21 ' HA ' ' A' ' 59' ' ' LYS . 7.4 m -96.38 -64.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.9 p -88.18 -33.35 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 57.95 39.75 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.09 -42.03 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.17 174.44 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.61 179.95 26.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 21.7 mtp85 -130.75 170.09 14.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -52.02 66.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.51 ' HA ' HD13 ' A' ' 29' ' ' ILE . 11.5 p -120.79 -175.75 3.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.507 HG22 ' HE3' ' A' ' 52' ' ' LYS . 11.8 mt -78.87 -51.33 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' ILE . 7.7 mm-40 -35.9 -53.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.438 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -61.78 -39.71 97.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.3 tp -61.81 -51.68 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' HE3' HG22 ' A' ' 48' ' ' ILE . 23.5 mttt -41.33 -47.1 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.2 -33.2 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . 8.2 t60 -71.72 -55.4 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.4 ptp -62.58 -25.91 68.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.21 -47.78 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -36.74 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.4 t -58.0 -43.76 86.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.977 ' HA ' HG21 ' A' ' 39' ' ' THR . 18.5 ttpt -41.89 111.37 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -89.15 -176.75 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.598 ' O ' ' CZ ' ' A' ' 63' ' ' PHE . 8.6 pt-20 -113.71 -174.68 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.491 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 70.2 mmm -60.84 167.3 2.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 61' ' ' GLU . 11.4 m-85 -144.38 -179.95 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 m -164.87 117.4 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 36.5 t -56.64 161.35 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.419 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 27.6 m-70 -109.1 -34.49 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.54 -49.09 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -112.96 -44.98 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 26.98 5.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HD3' HD11 ' A' ' 72' ' ' LEU . 14.5 tttp -63.8 153.43 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.734 0.302 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -134.21 102.58 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD11 ' HD3' ' A' ' 70' ' ' LYS . 11.3 mt -120.16 167.34 12.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.76 -53.74 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.5 p -85.17 128.77 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.3 tp -54.77 -57.34 11.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -38.86 -60.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.03 -42.28 11.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.0 ttm -71.22 -61.47 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -40.97 -27.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 78' ' ' MET . 8.7 t80 -80.68 -37.69 30.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.522 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.5 p-80 -52.89 -38.17 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.416 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 60.0 t -63.95 -47.31 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 52.4 mtm -70.96 -9.64 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.63 -58.74 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 1.1 p30 -84.52 -54.11 4.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.418 ' CD2' ' OD1' ' A' ' 85' ' ' ASN . 42.6 m-70 -82.8 54.45 2.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.7 111.94 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -79.52 110.04 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.512 HD21 ' HA3' ' A' ' 92' ' ' GLY . 3.0 tp -132.74 128.35 20.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.575 0.702 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.653 2.235 . . . . 0.0 112.34 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.1 m -143.15 148.98 37.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.512 ' HA3' HD21 ' A' ' 89' ' ' LEU . . . 167.48 98.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 3.19 2.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 93.1 p -52.97 121.33 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.5 p -98.29 163.15 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.476 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -124.89 111.51 15.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -81.84 103.97 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.86 164.9 11.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -48.23 130.91 16.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -99.32 81.09 2.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.46 132.56 2.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.89 162.19 15.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.13 123.33 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -97.36 -49.06 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -129.65 110.0 11.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -94.61 143.8 26.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.671 0.748 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.64 51.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.66 12.24 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.8 p -44.53 -42.05 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' N ' HG13 ' A' ' 15' ' ' VAL . 1.9 m-85 -57.55 154.34 11.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.67 167.69 4.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.18 77.54 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.86 54.48 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.28 168.33 20.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.911 0.386 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.565 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 22.5 mt -47.69 -38.57 15.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -50.19 -59.6 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.2 -43.61 64.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.32 -59.21 5.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.565 ' CZ2' ' HB3' ' A' ' 21' ' ' LEU . 31.9 m0 -52.53 -37.49 57.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.666 ' HA ' HD12 ' A' ' 29' ' ' ILE . 67.0 t80 -57.51 -46.66 83.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 30' ' ' VAL . 40.2 mt -50.43 -58.79 4.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -39.83 -30.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 26' ' ' TYR . 15.9 mt -80.05 -56.59 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.3 m -55.07 -18.58 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -94.08 -56.04 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -95.6 -49.77 5.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 139.13 -19.39 3.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.6 m -155.42 138.71 15.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.927 0.394 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 25' ' ' TRP . 10.6 p -88.25 156.86 3.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 35' ' ' VAL . 40.0 t -102.75 162.07 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.7 t -69.3 111.95 10.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.752 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.76 -1.4 8.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.737 2.292 . . . . 0.0 112.322 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.5 m -106.4 -56.08 2.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.2 p -97.96 -25.01 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 51.36 38.39 21.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.99 -38.89 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.82 137.14 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.93 173.56 16.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HG3' ' C ' ' A' ' 50' ' ' GLY . 15.3 mmm180 -126.7 157.28 39.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -58.9 -47.17 85.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.95 -179.85 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.431 HG13 ' CE1' ' A' ' 16' ' ' TYR . 5.5 mm -64.28 -55.69 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ILE . 21.3 mt-10 -36.41 -50.95 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' HG3' ' A' ' 45' ' ' ARG . . . -58.05 -51.93 55.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.452 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.752 HD11 ' HD2' ' A' ' 38' ' ' PRO . 9.5 tp -55.4 -56.67 17.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -42.91 -56.42 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -61.59 -33.22 73.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -66.07 -54.14 29.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.6 ptp -65.61 -25.65 67.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -52.94 -36.11 59.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.69 -43.2 3.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -43.73 -72.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' N ' ' SG ' ' A' ' 58' ' ' CYS . 17.5 tppt? -169.16 146.68 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -130.06 2.48 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.978 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -145.76 124.17 12.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.7 mtp -146.34 171.44 14.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 1.1 m-85 -131.92 146.43 52.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.441 ' HA ' ' HE1' ' A' ' 78' ' ' MET . 11.9 m -144.04 115.83 8.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.092 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.7 OUTLIER -45.72 161.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 3.1 t-160 -101.43 -40.12 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -52.22 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.8 p -96.4 -47.32 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.83 38.92 1.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.1 tttt -78.64 152.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.764 0.316 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -123.55 111.59 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 78' ' ' MET . 24.8 mt -118.72 175.04 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -90.26 -61.11 1.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 61.1 m -83.34 109.65 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 7.0 tp -40.86 -43.57 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.71 -68.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.16 -39.88 2.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.553 ' HA ' HD12 ' A' ' 72' ' ' LEU . 27.8 ttm -68.41 -63.5 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -40.95 -23.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 11.2 t80 -84.75 -38.06 20.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.642 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.17 -29.58 61.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.484 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 39.6 t -69.19 -64.7 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -57.76 -26.72 62.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.28 -72.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -62.02 -61.43 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.3 m-70 -68.1 -65.49 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.4 t30 65.33 43.85 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.5 t -137.51 112.28 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -46.3 138.9 6.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.28 60.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.239 . . . . 0.0 112.36 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 t -91.14 96.92 10.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -48.81 129.8 22.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -173.33 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.1 t -108.43 131.83 54.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.0 m -84.41 164.13 19.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.509 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 61.16 44.52 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 p -163.64 142.4 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.07 122.74 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -154.12 133.13 12.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -161.71 170.55 19.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.82 44.6 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -83.75 21.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 pt -73.75 131.35 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -145.22 138.15 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -174.18 145.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -172.09 151.53 2.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.632 0.729 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 145.22 56.82 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 176.01 7.34 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.391 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.6 -37.94 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.56 158.33 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.17 174.39 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.11 40.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 159.49 42.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 m -124.35 164.21 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 18.0 mt -60.92 -45.92 92.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -43.59 -48.45 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.07 -44.59 87.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -57.64 -65.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' HB3' HG21 ' A' ' 35' ' ' VAL . 19.2 m0 -43.45 -49.21 7.24 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.704 ' CE2' HG11 ' A' ' 30' ' ' VAL . 81.9 t80 -45.63 -55.33 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.2 mt -44.58 -58.37 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -39.88 -30.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 26' ' ' TYR . 27.4 mt -81.3 -60.66 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.704 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.6 m -55.16 -16.37 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' C ' ' HE2' ' A' ' 32' ' ' LYS . 5.3 t0 -97.87 -55.69 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HE2' ' C ' ' A' ' 31' ' ' ASP . 10.8 mmpt? -93.93 -53.62 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 144.93 -22.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -158.84 147.47 18.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.532 HG21 ' HB3' ' A' ' 25' ' ' TRP . 13.5 p -94.63 143.46 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -97.14 159.27 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.7 t -60.87 113.44 7.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.576 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.8 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.653 HG21 ' O ' ' A' ' 58' ' ' CYS . 27.2 m -102.71 -59.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -96.29 -28.89 14.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 58.53 42.51 20.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.23 -42.17 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.62 134.54 64.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.16 173.42 14.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD3' ' C ' ' A' ' 50' ' ' GLY . 9.8 mtp180 -131.98 157.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -58.65 -48.1 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 p -117.05 171.78 7.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 49' ' ' GLU . 21.3 mt -73.54 -50.11 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.4 tt0 -32.74 -57.0 0.37 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.441 ' C ' ' HD3' ' A' ' 45' ' ' ARG . . . -59.54 -45.41 95.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.576 HD11 ' HD2' ' A' ' 38' ' ' PRO . 7.2 tp -56.82 -52.13 66.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -38.97 -53.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -59.91 -34.16 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' LEU . 78.8 t60 -68.25 -50.27 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.0 ptp -68.51 -31.65 71.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -45.25 -46.83 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -101.72 -22.1 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.653 ' O ' HG21 ' A' ' 39' ' ' THR . 49.0 t -94.68 28.0 2.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' C ' HG21 ' A' ' 39' ' ' THR . 11.4 pttp -66.46 -3.18 5.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 61' ' ' GLU . 1.4 tp-100 -117.63 144.87 44.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' N ' ' HG3' ' A' ' 60' ' ' GLN . 13.1 mt-10 -55.09 149.44 12.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.7 mmm -135.61 178.17 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CG ' ' CD1' ' A' ' 75' ' ' LEU . 4.8 m-85 -120.71 167.68 12.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.9 m -164.4 115.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 3.3 t -57.37 161.98 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.3 p-80 -109.35 -35.96 6.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -51.6 -48.12 63.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.39 -43.57 2.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.87 39.23 1.6 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HE3' ' CB ' ' A' ' 81' ' ' HIS . 3.7 ttmm -78.92 154.7 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -131.58 104.51 6.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 78' ' ' MET . 94.6 mt -122.69 134.04 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -53.7 -48.82 69.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.4 m -88.81 133.64 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' CD1' ' CG ' ' A' ' 63' ' ' PHE . 5.9 tp -69.72 -42.52 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.49 -69.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.82 -42.67 11.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.536 ' HA ' HD12 ' A' ' 72' ' ' LEU . 33.5 ttm -63.08 -66.38 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -39.58 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 78' ' ' MET . 25.6 t80 -83.07 -38.59 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.661 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -56.83 -26.23 57.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.853 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.435 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 78.3 t -72.85 -37.9 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 47.1 mtm -84.55 15.73 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -119.72 -26.8 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -119.75 -37.54 3.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -102.13 102.41 12.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.4 t30 74.93 47.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 42.5 t -127.97 -50.75 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.7 mt -79.85 150.23 71.94 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.649 0.738 . . . . 0.0 110.841 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 97.29 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.7 m -153.37 171.87 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -69.18 121.92 12.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 102.07 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -119.04 125.74 50.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 m -169.23 156.68 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.465 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -173.19 146.73 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -94.89 165.23 12.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 95.25 0.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.435 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -166.12 133.91 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.921 0.391 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 p -125.07 -55.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.26 163.32 12.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -154.54 155.81 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 9' ' ' ILE . 4.7 mp -129.32 136.37 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -108.49 93.43 4.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -156.22 146.06 21.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 5.3 tt0 -160.06 141.04 9.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.709 0.766 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HD2' ' CG ' ' A' ' 12' ' ' GLU . 53.7 Cg_endo -69.79 167.74 23.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -170.5 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 16' ' ' TYR . 6.0 p -45.55 -27.78 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' CD2' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -124.56 166.91 15.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.78 166.84 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.14 42.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.08 49.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m -138.91 167.34 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.49 -48.13 69.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 16' ' ' TYR . 6.5 mp0 -42.34 -43.44 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -57.8 -48.95 78.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -57.38 -60.19 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.43 ' HB3' HG21 ' A' ' 35' ' ' VAL . 39.6 m0 -47.54 -45.99 27.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.744 ' CE2' HG11 ' A' ' 30' ' ' VAL . 78.1 t80 -49.04 -44.91 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' HA ' HG22 ' A' ' 30' ' ' VAL . 35.1 mt -53.4 -58.97 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -40.53 -28.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 26' ' ' TYR . 17.1 mt -82.15 -53.79 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.744 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.9 m -62.88 -12.34 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.62 -44.09 5.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -107.86 -52.96 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 -20.94 2.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.45 ' HB2' ' C ' ' A' ' 45' ' ' ARG . 90.6 p -153.24 142.09 21.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 51' ' ' LEU . 14.5 p -90.13 130.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -82.96 150.96 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 52.6 t -63.31 110.91 4.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.5 Cg_endo -69.81 3.23 2.92 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.689 HG21 ' O ' ' A' ' 58' ' ' CYS . 32.7 m -101.2 -56.59 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.5 p -104.31 -30.36 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 63.55 41.54 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -108.49 -44.81 4.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -134.28 143.25 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.22 -177.67 19.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' C ' ' HB2' ' A' ' 34' ' ' SER . 3.6 tpm_? -139.11 129.89 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.945 0.403 . . . . 0.0 110.837 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.626 ' HD3' HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -46.79 -19.66 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.626 HG23 ' HD3' ' A' ' 46' ' ' LYS . 13.8 p -141.87 174.51 10.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 49' ' ' GLU . 6.7 mt -78.81 -48.2 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' ILE . 5.8 mm-40 -34.05 -66.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.06 -50.26 46.02 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 35' ' ' VAL . 7.8 tp -50.25 -54.42 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.384 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -43.49 -50.61 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -61.99 -26.3 68.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.463 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 78.8 t60 -79.43 -52.34 8.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.403 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 8.7 ptm -66.74 -30.42 70.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.5 -42.43 54.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' A' ' 54' ' ' HIS . 0.2 OUTLIER -103.39 -21.87 13.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.689 ' O ' HG21 ' A' ' 39' ' ' THR . 42.3 t -86.13 26.21 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 55' ' ' MET . 10.3 mmtt -78.93 109.65 13.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.446 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 38.2 tt0 -124.09 155.57 38.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' N ' ' HG2' ' A' ' 60' ' ' GLN . 3.1 tp10 -122.14 137.62 54.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.4 ptm -121.71 178.82 4.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 75' ' ' LEU . 4.6 m-85 -135.47 -178.94 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.443 HG23 ' CG ' ' A' ' 71' ' ' GLN . 8.5 m -158.8 111.96 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -53.05 161.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.506 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 47.4 m-70 -104.87 -38.99 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.435 ' HB2' ' NE2' ' A' ' 86' ' ' HIS . 36.8 m-70 -50.48 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.7 p -100.5 -44.59 5.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.72 36.05 2.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 72' ' ' LEU . 3.4 tmtm? -75.8 152.88 37.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 69.9 mt-30 -131.81 115.15 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 ' HG ' ' CD ' ' A' ' 70' ' ' LYS . 65.1 mt -127.57 166.33 18.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 -56.39 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.1 p -81.22 110.04 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 31.7 tp -41.2 -56.48 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -39.26 -70.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.21 -58.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.557 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 6.4 ttm -53.49 -52.05 60.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -47.43 -19.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -90.67 -40.05 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.643 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.7 t -74.7 -41.14 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.424 ' C ' ' HB2' ' A' ' 88' ' ' SER . 70.8 mtm -83.49 19.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -123.57 -21.73 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -126.52 -44.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.435 ' NE2' ' HB2' ' A' ' 67' ' ' HIS . 29.6 m-70 -86.07 -71.05 0.56 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.29 46.2 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.424 ' HB2' ' C ' ' A' ' 83' ' ' MET . 1.1 t -143.73 142.46 30.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 89' ' ' LEU . 3.9 mp -101.62 138.41 19.85 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -0.62 7.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.2 p -67.03 121.25 15.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.53 -118.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 85.08 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.333 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.0 m -56.77 128.92 38.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -101.06 113.94 27.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.49 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -170.49 140.68 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -121.42 137.05 54.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.89 100.04 0.14 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.918 0.39 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.1 p -118.33 144.92 45.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.01 163.36 20.31 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -113.62 114.87 27.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -65.17 95.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.54 161.74 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -138.22 170.87 15.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -140.33 137.67 18.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.638 0.732 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 149.46 66.95 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 169.21 19.41 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.1 p -37.54 -46.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -91.35 175.78 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -81.95 7.37 13.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 17' ' ' ALA . . . 67.6 42.45 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.89 -36.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -56.67 172.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.5 mt -44.12 -45.33 8.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' CB ' ' HB3' ' A' ' 16' ' ' TYR . 26.6 mt-10 -43.47 -52.4 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -49.67 -47.99 49.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -59.14 -63.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.477 ' HB3' HG21 ' A' ' 35' ' ' VAL . 29.9 m0 -44.31 -43.15 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CE2' HG11 ' A' ' 30' ' ' VAL . 80.5 t80 -49.96 -44.41 50.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HA ' HG22 ' A' ' 30' ' ' VAL . 13.9 mt -56.31 -55.72 29.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.8 -26.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' HA ' ' N ' ' A' ' 34' ' ' SER . 26.9 mt -85.62 -55.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.6 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.5 m -63.63 -10.42 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -110.97 -58.21 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -87.18 -41.3 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.97 -20.08 5.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.402 ' N ' ' HA ' ' A' ' 29' ' ' ILE . 79.3 p -159.35 179.07 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.477 HG21 ' HB3' ' A' ' 25' ' ' TRP . 11.6 p -126.34 148.81 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.0 t -105.87 158.14 16.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.3 t -67.39 112.34 9.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.587 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.4 Cg_endo -69.79 -1.93 9.32 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.369 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.405 HG21 ' HA ' ' A' ' 59' ' ' LYS . 72.2 m -96.92 -60.26 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 32.0 p -97.9 -28.99 13.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 59.91 42.81 15.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.86 -47.86 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.3 m -122.73 139.64 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.72 -168.74 19.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -149.75 142.39 24.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -39.96 -55.05 2.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.3 p -127.35 -179.16 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.447 HG22 ' HD2' ' A' ' 52' ' ' LYS . 32.3 mt -63.11 -49.6 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' ILE . 3.5 tt0 -37.0 -52.54 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.76 56.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 38' ' ' PRO . 5.3 tp -52.59 -52.57 54.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' HD2' HG22 ' A' ' 48' ' ' ILE . 10.3 mttm -43.91 -47.93 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -64.26 -36.16 83.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -66.45 -56.95 8.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.1 ptp -60.64 -26.92 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -59.6 -22.6 62.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -131.79 13.3 4.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.0 t -121.16 -29.54 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HA ' HG21 ' A' ' 39' ' ' THR . 8.9 mtpt -45.5 91.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.6 tp-100 -47.07 169.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -76.8 175.11 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.6 mtp -124.84 170.37 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.44 ' CZ ' HD13 ' A' ' 75' ' ' LEU . 35.2 m-85 -126.75 158.01 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.486 HG23 ' HG2' ' A' ' 71' ' ' GLN . 7.7 m -152.68 124.29 7.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.113 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 23.1 t -64.22 161.22 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 37.7 m170 -106.05 -35.06 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -61.9 -63.03 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.3 p -95.79 -44.91 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.06 28.72 4.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -64.93 151.18 46.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.702 0.287 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG2' HG23 ' A' ' 64' ' ' THR . 14.8 mt-30 -134.83 95.64 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 78' ' ' MET . 85.9 mt -112.75 165.71 12.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 74' ' ' SER . 1.8 ptp180 -95.98 -31.45 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 84.4 p -94.96 111.49 23.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 63' ' ' PHE . 22.2 tp -42.4 -65.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' GLY . . . -38.4 -68.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ALA . . . -33.46 -52.57 0.59 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.56 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 7.2 ttm -57.74 -51.64 68.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -46.0 -33.29 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.73 -45.18 45.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -44.5 -38.23 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.52 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 87.5 t -68.96 -60.25 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.01 -15.4 22.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.26 -68.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -72.84 -48.63 36.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -85.8 36.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.61 109.37 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -118.41 170.65 8.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.523 HD23 ' H ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -112.16 146.71 35.41 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.556 0.693 . . . . 0.0 110.928 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.15 2.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.9 p -70.42 -52.7 20.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.93 -104.47 0.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.31 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 m -107.68 -56.74 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 t -116.64 139.98 49.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.416 -179.906 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 m -153.29 159.19 42.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 0.0 110.835 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p -173.76 173.46 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 102.65 0.9 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -145.61 118.96 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.843 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -173.06 153.01 2.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.86 -158.42 28.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.97 125.36 47.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.769 0.319 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mm -86.44 92.96 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.52 130.74 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -129.6 94.78 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -174.9 141.45 0.7 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 157.18 61.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.86 3.39 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.4 p -47.81 -41.56 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' OH ' ' CD1' ' A' ' 26' ' ' TYR . 7.2 m-85 -58.28 169.83 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.4 160.38 29.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.24 41.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.4 47.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -139.02 169.67 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 11.7 mt -63.36 -44.48 94.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -40.59 -40.82 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -62.14 -49.25 76.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.6 -59.86 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.509 ' HB3' HG21 ' A' ' 35' ' ' VAL . 45.8 m0 -47.92 -28.91 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.782 ' CE2' HG11 ' A' ' 30' ' ' VAL . 87.3 t80 -69.59 -51.66 33.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.9 mt -46.85 -50.14 19.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -47.57 -27.49 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.1 mt -83.01 -57.32 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.782 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.3 m -61.18 -14.48 10.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.27 -41.92 6.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -113.38 -47.31 3.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 131.96 -11.44 5.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.4 p -152.42 158.26 42.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.6 p -106.78 137.25 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.3 t -80.86 152.31 28.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.0 t -76.55 121.29 84.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.705 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.9 Cg_endo -69.75 -7.13 20.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.656 2.237 . . . . 0.0 112.399 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 m -88.57 -65.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 24.4 p -94.4 -32.8 13.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 63.93 35.68 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.49 -46.58 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.0 m -124.77 141.92 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -110.5 161.67 12.82 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mmp_? -107.82 149.17 28.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.821 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -42.26 -54.13 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 p -136.26 173.69 11.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.724 HG22 ' HE3' ' A' ' 52' ' ' LYS . 29.6 mt -54.9 -30.51 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -57.45 -54.46 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.86 -26.51 72.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD11 ' HD2' ' A' ' 38' ' ' PRO . 23.3 tp -64.49 -59.07 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 110.932 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.724 ' HE3' HG22 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -49.8 -33.95 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -75.13 -26.41 59.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -85.0 -50.91 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.9 ptm -65.69 -27.41 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 mm-40 -55.36 -43.79 75.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -96.47 -40.89 8.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 59' ' ' LYS . 2.4 t -54.08 -31.57 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 58' ' ' CYS . 1.3 mmmt -35.1 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.456 ' CD ' ' O ' ' A' ' 60' ' ' GLN . 2.7 pp0? -79.24 54.02 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -83.95 126.15 32.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.483 ' HE3' ' HB2' ' A' ' 62' ' ' MET . 9.4 ptm -156.16 178.25 10.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.48 ' CD2' HD13 ' A' ' 75' ' ' LEU . 5.2 m-85 -143.72 157.52 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.2 m -151.46 126.43 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.526 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -72.11 161.84 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.526 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 46.2 m80 -105.45 -37.45 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -52.47 -67.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 25.6 p -98.21 -39.22 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.71 41.93 2.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -84.78 152.4 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.716 0.294 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -127.11 109.71 12.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 78' ' ' MET . 96.6 mt -122.75 159.65 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -81.0 -52.76 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 m -83.73 121.19 26.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 63' ' ' PHE . 19.0 tp -54.45 -42.34 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.88 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.78 -41.68 3.52 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.592 ' HA ' HD12 ' A' ' 72' ' ' LEU . 31.0 ttm -67.32 -65.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -39.48 -29.25 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' MET . 48.3 t80 -78.44 -38.91 40.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.646 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -55.82 -28.04 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.432 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 70.1 t -81.39 -51.79 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.6 mtp -65.83 -9.37 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.0 -65.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -74.15 -48.81 26.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -86.67 34.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -66.6 87.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -132.86 165.74 23.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.8 pp -48.3 149.92 2.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 88.45 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.5 p -85.4 -175.23 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.04 132.83 2.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.3 p -153.64 137.27 16.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 84.4 p -86.37 175.54 8.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.5 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 p -101.65 167.81 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.899 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -80.55 -45.62 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.05 61.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 t -105.15 122.87 46.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -53.46 -58.62 6.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.5 -155.23 7.68 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.463 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -112.36 155.94 23.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.877 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.2 mt -99.84 -17.87 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -128.07 92.63 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -114.26 121.9 45.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -157.39 145.27 14.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.47 9.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.51 2.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 16' ' ' TYR . 8.0 p -50.93 -41.72 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' N ' HG13 ' A' ' 15' ' ' VAL . 3.1 m-85 -56.45 150.74 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.08 148.27 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.36 47.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.03 38.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -132.89 166.33 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.6 mt -55.54 -52.3 64.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -40.54 -45.01 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.47 -49.98 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -55.06 -58.3 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 26' ' ' TYR . 35.0 m0 -47.82 -58.06 4.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.879 ' O ' HG13 ' A' ' 30' ' ' VAL . 71.4 t80 -37.2 -50.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.691 ' HA ' HG22 ' A' ' 30' ' ' VAL . 27.9 mt -55.12 -52.89 61.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.98 -22.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 26' ' ' TYR . 3.4 mt -97.77 -35.16 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.879 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.3 m -78.33 -12.19 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.83 -53.66 2.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -89.34 -47.58 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.32 -17.21 4.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.8 m -160.7 145.58 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 0.0 110.916 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.71 147.84 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.0 t -103.56 157.12 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 t -64.9 112.42 8.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.612 0.72 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -1.47 8.57 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.9 m -101.1 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.9 p -98.8 -27.59 13.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 56.61 41.15 28.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -114.92 -43.66 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.0 m -133.72 133.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.28 -178.13 19.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -126.99 164.65 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -69.87 -25.38 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.51 171.9 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 49' ' ' GLU . 27.9 mt -69.73 -57.35 8.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 48' ' ' ILE . 47.2 mt-10 -34.43 -61.34 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.51 -45.84 75.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' HIS . 4.8 tp -57.17 -51.45 69.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.879 0.371 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -39.91 -50.14 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -60.41 -34.75 74.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' LEU . 82.2 t60 -68.65 -55.86 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 ptp -61.17 -23.22 65.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.03 -41.3 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -96.7 -12.42 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 48.1 t -94.27 16.02 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.59 149.47 30.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -86.8 133.11 33.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' MET . 2.3 tp10 -120.95 155.62 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' GLU . 23.4 mtp -34.44 138.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.47 ' CE2' HD13 ' A' ' 75' ' ' LEU . 30.7 m-85 -121.37 177.59 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.4 m -157.4 117.86 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 17.7 t -58.76 160.83 5.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.439 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 82.5 t60 -107.38 -37.1 6.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -58.15 -57.79 11.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.1 -44.86 5.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.58 26.96 5.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.429 ' CD ' ' HB2' ' A' ' 81' ' ' HIS . 9.9 tttm -64.75 153.96 38.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.299 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -138.83 105.38 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.0 mt -132.2 142.27 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -76.82 -27.06 55.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.9 m -98.64 107.03 19.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.47 HD13 ' CE2' ' A' ' 63' ' ' PHE . 18.3 tp -47.3 -43.54 22.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.22 -64.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.27 -44.8 44.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.563 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 26.7 ttm -59.1 -57.9 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -45.68 -20.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -89.27 -38.1 14.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.2 OUTLIER -50.76 -30.29 13.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.462 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 86.0 t -72.49 -51.32 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 44.8 mtm -65.74 -24.09 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.96 -51.48 6.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 81' ' ' HIS . 44.8 m-20 -83.83 -59.99 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -83.42 41.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -61.04 94.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.6 t -125.24 80.84 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 pp -111.72 148.79 39.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.8 Cg_endo -69.74 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.37 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 92' ' ' GLY . 87.4 p -34.88 -49.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 91' ' ' SER . . . -32.49 96.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' SER . 53.9 Cg_endo -69.71 171.22 14.81 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.1 p -107.87 158.26 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -57.71 -60.23 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.9 p -167.03 161.01 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -168.21 166.01 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.9 160.46 17.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -174.88 173.46 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -172.2 172.23 4.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.23 135.44 1.93 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.482 ' O ' HD13 ' A' ' 9' ' ' ILE . 37.2 mtm180 -142.17 133.49 26.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 8' ' ' ARG . 48.4 mm -136.53 117.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -114.66 143.49 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -167.11 163.29 15.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.24 114.58 8.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.33 68.95 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 173.22 11.3 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.377 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 16' ' ' TYR . 7.4 p -37.03 -44.71 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.474 ' N ' HG13 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -101.0 167.13 10.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.44 170.74 12.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.18 43.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.92 47.1 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 p -118.64 160.58 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.939 0.399 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -54.04 -34.5 60.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' O ' HD13 ' A' ' 48' ' ' ILE . 1.7 mp0 -59.01 -25.44 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -88.18 -38.78 15.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -58.04 -47.35 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -56.75 -51.33 69.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.817 ' O ' HG13 ' A' ' 30' ' ' VAL . 77.3 t80 -45.24 -48.62 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' A' ' 30' ' ' VAL . 23.3 mt -54.01 -63.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.95 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -37.29 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.577 HG23 ' C ' ' A' ' 33' ' ' GLY . 9.3 mt -85.37 -48.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.817 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.7 m -62.34 -13.98 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -101.66 -42.27 6.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -103.97 -52.22 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.577 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 139.92 -19.03 2.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.442 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.2 p -153.75 155.47 35.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -110.82 139.01 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 159.51 15.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 46.0 t -67.33 112.57 10.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 37' ' ' CYS . 53.7 Cg_endo -69.79 -2.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.341 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.816 HG21 ' HA ' ' A' ' 59' ' ' LYS . 61.4 m -97.3 -57.25 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 p -104.11 -26.2 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 37' ' ' CYS . 82.8 mt-30 57.46 39.41 28.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.74 -44.81 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.72 138.42 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -114.63 177.24 17.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -132.43 166.26 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -60.01 -47.81 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.533 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.4 p -135.83 -175.24 3.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.549 HD11 ' HB2' ' A' ' 26' ' ' TYR . 36.4 mt -67.76 -40.4 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -49.41 -47.42 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.41 75.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 37' ' ' CYS . 3.5 tp -60.76 -43.11 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -49.85 -49.03 50.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -64.18 -14.72 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 51' ' ' LEU . 78.7 t60 -92.62 -50.12 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.411 ' HB2' ' HE2' ' A' ' 55' ' ' MET . 8.1 ptm -70.49 -23.38 62.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' ' ND2' ' A' ' 57' ' ' ASN . 17.5 pt-20 -50.86 -41.54 58.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 56' ' ' GLU . 71.0 m-80 -103.59 -36.45 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.0 t -64.09 -55.23 23.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.816 ' HA ' HG21 ' A' ' 39' ' ' THR . 0.3 OUTLIER -42.03 109.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -88.69 173.6 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.86 156.67 6.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 57.2 mtp -148.02 175.55 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 75' ' ' LEU . 22.2 m-85 -143.54 178.51 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -164.38 121.78 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 0.9 OUTLIER -63.7 161.04 15.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.505 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 2.7 t-160 -105.61 -36.73 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -52.33 -66.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 31.6 p -99.1 -40.14 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.17 41.13 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 4.8 tmtm? -84.56 154.26 22.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 28.3 mt-30 -129.77 112.31 13.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 78' ' ' MET . 24.0 mt -118.76 144.04 46.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -53.06 -54.6 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -89.15 175.98 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 58.7 tp -99.88 -49.21 4.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.38 -66.43 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.19 -51.76 7.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.548 ' HA ' HD12 ' A' ' 72' ' ' LEU . 28.4 ttm -56.79 -65.23 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -40.69 -24.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.477 ' N ' ' O ' ' A' ' 78' ' ' MET . 3.0 t80 -84.67 -37.31 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.651 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -57.44 -27.02 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.456 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 91.5 t -72.04 -50.72 35.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 48.5 mtm -68.84 -21.23 64.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.4 -54.43 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -84.75 -55.88 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -85.66 49.28 1.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER -70.61 116.45 10.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 m -118.18 167.2 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 89' ' ' LEU . 3.5 pp -44.74 144.87 1.71 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.647 0.737 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.1 Cg_endo -69.73 -176.81 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 90' ' ' PRO . 3.4 m -34.2 123.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 164.38 -137.33 4.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 139.2 39.37 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.679 2.253 . . . . 0.0 112.331 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -72.88 153.59 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.7 m -155.29 137.06 14.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.487 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -166.01 121.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 110.842 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -165.52 141.68 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.56 65.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -39.87 116.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -94.91 148.39 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.94 -123.97 2.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.449 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.9 147.71 43.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.8 pt -128.77 129.31 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -148.35 140.06 23.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -87.2 165.82 15.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -150.49 151.26 30.62 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.624 0.726 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 127.47 14.71 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.386 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.73 163.33 38.67 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 14' ' ' PRO . 7.6 p -33.82 -40.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.406 ' N ' HG13 ' A' ' 15' ' ' VAL . 4.9 m-85 -56.41 146.08 25.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.743 ' HB3' ' HB2' ' A' ' 20' ' ' SER . . . -45.88 152.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.99 44.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.82 51.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.509 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.743 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 1.0 OUTLIER -132.54 166.9 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.864 -179.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD13 ' CZ2' ' A' ' 25' ' ' TRP . 10.8 mt -45.79 -38.8 7.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -48.45 -52.05 24.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -56.4 -51.61 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -54.86 -52.38 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.592 ' CZ2' ' HG3' ' A' ' 38' ' ' PRO . 46.5 m0 -58.05 -40.33 80.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.752 ' CE2' HG11 ' A' ' 30' ' ' VAL . 77.6 t80 -55.27 -49.79 71.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HA ' HG22 ' A' ' 30' ' ' VAL . 14.3 mt -53.95 -56.23 19.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -42.74 -24.09 0.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 33' ' ' GLY . 16.2 mt -92.01 -53.94 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.752 HG11 ' CE2' ' A' ' 26' ' ' TYR . 2.2 m -59.49 -20.98 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -91.3 -47.72 7.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -102.58 -54.42 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.677 ' O ' HG23 ' A' ' 29' ' ' ILE . . . 147.7 -23.19 1.49 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.2 p -148.38 176.1 10.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -127.14 148.8 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -100.69 154.07 18.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLN . 29.9 t -62.44 110.4 3.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.838 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.5 Cg_endo -69.77 -6.53 18.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 60' ' ' GLN . 5.0 m -94.8 -53.21 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.7 p -105.3 -31.85 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 37' ' ' CYS . 57.1 mt-30 62.52 41.4 9.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.91 -43.32 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.3 m -132.81 141.0 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.94 19.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -130.41 153.48 48.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -46.3 -56.18 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.487 ' HA ' HD13 ' A' ' 29' ' ' ILE . 2.8 p -132.86 177.54 7.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.968 HG22 ' HD2' ' A' ' 52' ' ' LYS . 39.3 mt -50.79 -49.39 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -43.81 -54.37 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.56 -38.99 92.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.838 HD11 ' HD2' ' A' ' 38' ' ' PRO . 11.0 tp -65.7 -58.03 6.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.968 ' HD2' HG22 ' A' ' 48' ' ' ILE . 6.1 mtpp -42.09 -54.28 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -58.25 -32.8 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -72.16 -54.79 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.451 ' CE ' ' CH2' ' A' ' 25' ' ' TRP . 10.0 ptp -64.55 -30.9 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.74 -47.42 59.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -96.21 -44.06 7.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -47.07 -64.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.496 ' HZ3' ' C ' ' A' ' 73' ' ' ARG . 47.8 tttt -174.06 164.78 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.607 ' O ' HG23 ' A' ' 39' ' ' THR . 49.4 mt-30 -98.52 176.68 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -47.89 172.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.431 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 46.7 mtp -96.75 -178.53 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 62' ' ' MET . 7.7 m-85 -136.31 167.9 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' HG2' ' A' ' 71' ' ' GLN . 6.4 m -157.78 112.79 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 10.6 t -49.66 161.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.476 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 5.6 m-70 -107.93 -35.64 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -58.41 -58.91 6.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.6 p -103.03 -45.8 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.97 32.01 3.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 tttp -68.57 152.49 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.436 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.9 mt-30 -133.27 103.71 6.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 78' ' ' MET . 41.7 mt -129.05 130.84 47.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.496 ' C ' ' HZ3' ' A' ' 59' ' ' LYS . 8.9 ptm180 -60.69 -47.59 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -82.74 113.22 20.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.0 tp -49.97 -46.91 52.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.91 -62.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.94 -43.77 31.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 35.8 ttm -62.22 -64.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.368 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -40.15 -24.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.469 ' N ' ' O ' ' A' ' 78' ' ' MET . 52.9 t80 -82.79 -39.92 21.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 0.7 OUTLIER -51.81 -30.92 25.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 -59.79 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 62.7 mtm -61.92 -21.42 64.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.18 -69.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -71.1 -54.81 9.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -81.86 44.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -76.38 91.38 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -53.67 -46.5 70.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.6 mt -55.95 124.39 58.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.58 0.705 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 170.72 15.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.0 t -118.44 -54.35 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 153.28 137.01 2.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.89 4.1 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.0 p -134.8 132.34 38.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.3 m -159.68 156.08 27.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.512 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.1 p -110.85 108.22 17.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -87.36 130.41 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.91 77.81 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -58.77 139.11 56.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -166.78 150.13 6.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.83 142.09 22.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -81.13 116.63 21.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -85.89 -24.64 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -162.18 169.22 21.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -152.91 135.76 15.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.99 133.52 67.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.866 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 120.35 7.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.327 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 16' ' ' TYR . 14.0 p -43.02 -49.93 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.599 ' N ' HG13 ' A' ' 15' ' ' VAL . 12.3 m-85 -47.38 134.5 11.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.466 ' HB3' ' OG ' ' A' ' 20' ' ' SER . . . -53.15 141.24 23.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.36 80.03 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.76 -39.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.466 ' OG ' ' HB3' ' A' ' 17' ' ' ALA . 73.8 p -51.21 150.51 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 21.0 mt -51.12 -32.97 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -53.91 -59.84 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -44.94 -52.55 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.18 -55.37 15.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.792 ' HB3' HG21 ' A' ' 35' ' ' VAL . 30.3 m0 -53.74 -45.37 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.761 ' CE2' HG11 ' A' ' 30' ' ' VAL . 86.9 t80 -49.19 -52.51 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' HA ' HG22 ' A' ' 30' ' ' VAL . 31.3 mt -47.3 -57.5 5.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -40.41 -31.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 47' ' ' THR . 42.9 mt -81.12 -55.48 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.761 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.9 m -61.74 -15.13 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.125 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -96.93 -46.29 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -106.85 -48.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . 133.66 -13.02 4.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.5 p -152.87 145.57 24.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.792 HG21 ' HB3' ' A' ' 25' ' ' TRP . 8.3 p -98.69 144.51 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -92.67 169.8 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' GLN . 40.4 t -78.67 111.6 20.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.605 ' HD2' HD11 ' A' ' 51' ' ' LEU . 53.7 Cg_endo -69.78 -3.97 13.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.1 m -98.16 -50.35 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.3 p -106.72 -29.93 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' CYS . 54.7 mt-30 60.8 43.09 12.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.13 -39.77 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 m -134.77 174.56 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 35' ' ' VAL . . . -145.47 162.71 28.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -114.46 171.38 7.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.348 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -58.28 -55.67 31.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.614 ' HA ' HD13 ' A' ' 29' ' ' ILE . 1.4 p -133.09 -175.36 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 mm -54.15 -49.9 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -45.55 -61.88 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.64 -42.38 20.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 38' ' ' PRO . 6.9 tp -64.78 -38.22 90.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -52.62 -52.0 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 12.1 ttpt -65.55 -13.63 59.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -89.43 -51.0 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 ptm -71.07 -32.88 69.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 19.4 pt-20 -48.98 -41.89 35.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 p30 -101.87 -20.55 14.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.6 t -92.87 24.6 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.6 pttt -67.71 -175.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -92.57 104.12 16.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -124.0 169.28 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.7 mmt -37.32 153.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 75' ' ' LEU . 21.3 m-85 -118.3 16.22 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' PHE . 16.9 m -35.7 106.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.183 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 7.1 t -47.83 157.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.413 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 49.6 m80 -105.16 -33.1 8.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -56.71 -59.14 5.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.83 -43.46 5.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.96 33.13 3.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -78.34 153.86 31.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.5 mt-30 -129.86 123.5 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 78' ' ' MET . 77.9 mt -140.58 126.16 19.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -51.2 -44.57 61.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 t -87.79 149.72 24.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 63' ' ' PHE . 67.2 tp -82.65 -49.55 9.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.63 -65.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.97 -55.65 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.519 ' HA ' HD12 ' A' ' 72' ' ' LEU . 30.4 ttm -52.94 -63.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' O ' ' CE ' ' A' ' 83' ' ' MET . 5.9 mtpm? -42.14 -23.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' MET . 9.9 t80 -85.51 -36.11 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.66 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -59.46 -26.8 65.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' HIS . 87.0 t -72.67 -49.4 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.405 ' CE ' ' O ' ' A' ' 79' ' ' LYS . 4.6 mpp? -68.66 -29.48 67.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.88 -53.36 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -87.41 -52.12 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 82' ' ' VAL . 7.7 m-70 -89.9 41.24 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -51.1 107.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.5 t -164.8 106.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.4 151.87 7.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.3 m -77.76 146.7 35.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.86 175.97 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 179.03 3.99 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.348 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 t -98.23 179.29 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.8 m -83.77 177.23 8.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.127 -0.819 . . . . 0.0 112.479 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -125.06 132.09 53.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m -88.39 -51.0 5.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.57 -162.66 12.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -169.17 169.21 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -156.81 170.83 21.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.42 77.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -87.9 134.46 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.5 pt -122.72 146.81 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -168.65 147.41 4.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -138.57 155.43 48.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -112.14 122.01 37.86 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.742 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HG3' ' HB2' ' A' ' 18' ' ' ALA . 53.1 Cg_endo -69.86 164.56 34.18 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -176.48 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 p -48.86 -22.56 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.34 156.82 24.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' A' ' 20' ' ' SER . . . -48.7 163.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.523 ' HB2' ' HG3' ' A' ' 13' ' ' PRO . . . -84.49 73.68 10.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.88 51.36 1.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.666 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 2.4 t -122.05 173.89 7.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.473 ' HB3' ' CZ2' ' A' ' 25' ' ' TRP . 12.5 mt -50.15 -36.73 31.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.517 ' HA ' ' CE3' ' A' ' 25' ' ' TRP . 12.7 mt-10 -51.14 -60.74 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -44.51 -42.6 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -58.98 -60.42 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CE3' ' HA ' ' A' ' 22' ' ' GLU . 16.5 m0 -48.19 -51.14 26.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.753 ' CE2' HG11 ' A' ' 30' ' ' VAL . 84.9 t80 -42.26 -48.99 5.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' HA ' HG22 ' A' ' 30' ' ' VAL . 23.6 mt -53.87 -54.86 32.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -46.29 -23.37 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.413 HG23 ' C ' ' A' ' 33' ' ' GLY . 35.8 mt -90.53 -44.89 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.753 HG11 ' CE2' ' A' ' 26' ' ' TYR . 1.7 m -68.63 -15.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -102.86 -38.63 7.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -112.29 -49.6 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' C ' HG23 ' A' ' 29' ' ' ILE . . . 130.06 -4.12 6.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.463 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.6 p -164.34 151.97 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.74 151.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -92.52 148.79 21.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.11 117.52 20.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.78 5.13 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.56 HG21 ' HA ' ' A' ' 59' ' ' LYS . 12.1 m -106.88 -57.65 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 27.8 p -97.72 -30.83 12.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.437 ' NE2' HH22 ' A' ' 73' ' ' ARG . 61.7 mt-30 61.1 44.15 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.94 -47.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.51 151.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -152.52 -176.37 25.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -124.01 154.28 40.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 40.9 mttm -69.76 0.68 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.91 163.25 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.5 mm -68.2 -62.57 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.49 -58.73 1.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.97 -46.85 19.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.1 -32.65 74.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.942 0.401 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 26.6 mmtt -58.12 -39.09 77.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -68.61 -33.14 73.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -75.98 -51.6 12.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.8 ptm -66.71 -38.3 86.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 6.1 mm-40 -40.7 -33.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -105.03 -32.01 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -69.74 -58.06 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.56 ' HA ' HG21 ' A' ' 39' ' ' THR . 19.9 pttt -40.78 127.38 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 61' ' ' GLU . 14.0 mt-30 -92.99 164.38 13.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 60' ' ' GLN . 13.9 tt0 -37.03 131.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 49.6 mmm -112.12 169.25 8.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -143.6 160.85 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.7 m -151.31 113.85 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.24 158.4 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -106.71 -32.67 7.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.82 -57.45 11.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 30.1 p -102.04 -42.6 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.46 31.48 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -72.09 156.53 39.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.706 0.289 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -136.61 104.99 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 78' ' ' MET . 14.0 mt -119.28 148.72 42.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.437 HH22 ' NE2' ' A' ' 41' ' ' GLN . 1.5 ptp180 -78.51 -19.65 52.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.5 m -111.32 122.72 48.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.5 tp -58.85 -44.83 91.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.25 -72.17 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -39.5 -48.17 2.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.519 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 29.0 ttm -57.77 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -44.72 -26.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -80.74 -38.34 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 0.4 OUTLIER -53.1 -35.19 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.467 ' N ' ' CD2' ' A' ' 81' ' ' HIS . 96.3 t -63.78 -43.82 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 39.9 mtm -84.15 25.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.45 -44.84 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -98.84 -48.37 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -79.89 -65.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 m120 61.38 41.93 12.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.8 p -45.95 -41.88 12.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.1 mt -106.62 127.49 28.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.613 0.72 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 m -148.14 168.82 21.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.56 135.56 5.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 176.74 6.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.9 t -82.39 -41.43 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -155.94 167.42 30.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.506 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p 45.32 42.1 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -67.07 140.71 57.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.95 115.13 1.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -70.45 131.45 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -88.12 144.56 26.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.86 70.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -135.36 117.96 15.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -71.29 174.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 4.4 ptp180 -129.51 136.06 49.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -162.51 144.55 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -142.83 153.87 61.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.666 0.746 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.44 65.94 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -175.48 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' O ' HG22 ' A' ' 15' ' ' VAL . 5.9 p -57.48 -13.97 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -83.62 147.73 27.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 20' ' ' SER . . . -43.43 163.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.97 77.47 8.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.26 49.66 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.682 ' HB2' ' HB3' ' A' ' 17' ' ' ALA . 1.1 t -124.08 169.4 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.2 mt -50.27 -37.99 38.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -46.7 -58.53 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -43.05 -44.78 4.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.61 -64.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.775 ' HB3' HG21 ' A' ' 35' ' ' VAL . 27.8 m0 -42.74 -57.44 2.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.777 ' HA ' HD12 ' A' ' 29' ' ' ILE . 84.3 t80 -37.93 -44.7 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 ' HA ' HG22 ' A' ' 30' ' ' VAL . 54.8 mt -56.75 -49.23 75.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -53.21 -23.59 8.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 26' ' ' TYR . 6.6 mt -90.51 -33.05 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.144 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.733 HG13 ' O ' ' A' ' 26' ' ' TYR . 1.5 m -85.7 -15.41 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -107.32 -52.46 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -89.39 -43.34 10.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.86 -3.26 14.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 p -165.64 141.76 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.775 HG21 ' HB3' ' A' ' 25' ' ' TRP . 7.2 p -96.53 137.57 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -96.57 154.24 17.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' HA ' HD11 ' A' ' 51' ' ' LEU . 22.4 t -54.59 119.18 19.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HG3' ' CZ2' ' A' ' 25' ' ' TRP . 53.3 Cg_endo -69.74 0.65 5.33 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 HG21 ' C ' ' A' ' 59' ' ' LYS . 48.1 m -112.22 -60.02 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 p -92.95 -23.01 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.35 44.25 16.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.68 -33.37 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.81 144.34 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -149.64 -151.36 5.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -152.05 -175.45 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -92.58 31.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' H ' ' A' ' 50' ' ' GLY . 9.9 t -175.02 179.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.658 HD11 ' CA ' ' A' ' 26' ' ' TYR . 18.1 mt -102.88 -9.0 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -80.08 -49.99 10.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' H ' HG23 ' A' ' 47' ' ' THR . . . -69.96 -27.25 73.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD22 HG13 ' A' ' 35' ' ' VAL . 12.2 tp -76.17 -50.86 13.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.878 0.371 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.521 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 29.5 mtmt -43.91 -36.3 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -70.3 -32.92 70.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' LEU . 17.7 t60 -80.86 -50.03 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.431 ' CG ' ' HA ' ' A' ' 52' ' ' LYS . 3.9 ppp? -65.73 -32.32 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 3.9 mm-40 -45.76 -52.0 11.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -87.87 -22.23 24.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 50.5 t -94.39 22.41 6.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' HG21 ' A' ' 39' ' ' THR . 1.0 OUTLIER -66.63 -6.75 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -122.52 120.12 32.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 62' ' ' MET . 1.8 tp10 -168.75 142.01 2.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 49.8 mtp -48.68 144.35 4.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 75' ' ' LEU . 7.0 m-85 -106.98 176.0 5.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.452 HG23 ' HG2' ' A' ' 71' ' ' GLN . 8.6 m -163.66 121.84 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.483 ' SG ' ' N ' ' A' ' 66' ' ' HIS . 5.9 t -61.52 161.34 9.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.483 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 14.1 m80 -106.85 -38.93 5.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -54.74 -62.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.4 p -99.99 -44.21 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.45 30.0 3.99 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' CE ' HD11 ' A' ' 72' ' ' LEU . 26.2 tttp -65.82 152.07 45.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HG2' HG23 ' A' ' 64' ' ' THR . 11.6 mt-30 -133.04 100.98 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.526 HD11 ' CE ' ' A' ' 70' ' ' LYS . 61.5 mt -125.61 144.37 50.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -72.66 -43.35 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -84.67 121.06 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 63' ' ' PHE . 12.8 tp -54.96 -45.73 74.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.67 -67.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.28 -39.03 2.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.513 ' HG3' ' CE1' ' A' ' 81' ' ' HIS . 30.9 ttm -71.52 -47.67 53.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -56.49 -15.87 4.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.417 ' HA ' ' CE ' ' A' ' 83' ' ' MET . 26.4 t80 -94.98 -21.5 18.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.513 ' CE1' ' HG3' ' A' ' 78' ' ' MET . 1.3 p-80 -69.16 -32.13 71.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.568 HG13 ' HB2' ' A' ' 86' ' ' HIS . 44.3 t -75.71 -52.13 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.417 ' CE ' ' HA ' ' A' ' 80' ' ' TYR . 25.0 ptp -54.33 -34.8 61.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.83 -72.2 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.51 -52.06 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.568 ' HB2' HG13 ' A' ' 82' ' ' VAL . 36.2 m-70 -94.43 51.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.417 ' O ' ' CG ' ' A' ' 87' ' ' ASN . 1.7 p30 -80.35 44.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.6 t -118.3 86.2 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 89' ' ' LEU . 3.8 pp -101.05 119.0 59.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.711 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.0 Cg_endo -69.77 -47.25 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.378 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 90' ' ' PRO . 25.2 p -35.98 125.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.09 94.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 175.0 8.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.373 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -61.5 106.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.3 p -125.5 160.59 29.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_